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287-24-1 molecular structure
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azete

ChemBase ID: 126000
Molecular Formular: C3H3N
Molecular Mass: 53.06262
Monoisotopic Mass: 53.0265491
SMILES and InChIs

SMILES:
C1=CN=C1
Canonical SMILES:
C1=CC=N1
InChI:
InChI=1S/C3H3N/c1-2-4-3-1/h1-3H
InChIKey:
LKSPYOVNNMPMIZ-UHFFFAOYSA-N

Cite this record

CBID:126000 http://www.chembase.cn/molecule-126000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
azete
IUPAC Traditional name
azete
Synonyms
Azete
CAS Number
287-24-1
PubChem SID
162220343
PubChem CID
20185374
Chemspider ID
14804701
Wikipedia Title
Azete

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1641538  LogD (pH = 7.4) -0.46446645 
Log P 0.008534103  Molar Refractivity 17.0362 cm3
Polarizability 6.013449 Å3 Polar Surface Area 12.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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