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885272-22-0 molecular structure
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1H-indole-4-carbohydrazide

ChemBase ID: 811127
Molecular Formular: C9H9N3O
Molecular Mass: 175.18726
Monoisotopic Mass: 175.07456192
SMILES and InChIs

SMILES:
c1cc2c(cccc2[nH]1)C(=O)NN
Canonical SMILES:
NNC(=O)c1cccc2c1cc[nH]2
InChI:
InChI=1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13)
InChIKey:
VFWVCNABVVHCKS-UHFFFAOYSA-N

Cite this record

CBID:811127 http://www.chembase.cn/molecule-811127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-indole-4-carbohydrazide
IUPAC Traditional name
1H-indole-4-carbohydrazide
Synonyms
1H-INDOLE-4-CARBOXYLIC ACID HYDRAZIDE
CAS Number
885272-22-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30197 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30197 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.560507  H Acceptors
H Donor LogD (pH = 5.5) 0.62534726 
LogD (pH = 7.4) 0.626162  Log P 0.6261724 
Molar Refractivity 50.707 cm3 Polarizability 19.797646 Å3
Polar Surface Area 70.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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