Home > Compound List > Compound details
105492-12-4 molecular structure
click picture or here to close

3-phenyl-1H-indole-2-carbohydrazide

ChemBase ID: 40804
Molecular Formular: C15H13N3O
Molecular Mass: 251.28322
Monoisotopic Mass: 251.10586205
SMILES and InChIs

SMILES:
c1([nH]c2c(c1c1ccccc1)cccc2)C(=O)NN
Canonical SMILES:
NNC(=O)c1[nH]c2c(c1c1ccccc1)cccc2
InChI:
InChI=1S/C15H13N3O/c16-18-15(19)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-14/h1-9,17H,16H2,(H,18,19)
InChIKey:
YJCHFYZYBSUQDQ-UHFFFAOYSA-N

Cite this record

CBID:40804 http://www.chembase.cn/molecule-40804.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenyl-1H-indole-2-carbohydrazide
IUPAC Traditional name
3-phenyl-1H-indole-2-carbohydrazide
Synonyms
3-Phenyl-1H-indole-2-carbohydrazide
CAS Number
105492-12-4
MDL Number
MFCD00974217
PubChem SID
162045567
PubChem CID
2763658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.249394  H Acceptors
H Donor LogD (pH = 5.5) 2.192374 
LogD (pH = 7.4) 2.1933806  Log P 2.193399 
Molar Refractivity 75.7207 cm3 Polarizability 30.851746 Å3
Polar Surface Area 70.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
238 - 240 °C expand Show data source
238-240°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle