Molecule

ID:80496

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO
Molecular Mass
97.11518
Exact Mass
97.05276385
Charge
0
InChI
InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
InChIKey
DDRPCXLAQZKBJP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccco1
Isomeric Smiles
o1c(ccc1)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2756886
LogD (pH = 7.4)
-0.5844974
Log P
0.1592609
Molar Refractivity
26.9223
Polarizability
10.554557
Polar Surface Area
39.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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