Molecule

ID:92598

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO
Molecular Mass
133.14728
Exact Mass
133.05276385
Charge
0
InChI
InChI=1S/C8H7NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
InChIKey
GMOLCSICTCPZCU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cco2
Isomeric Smiles
o1c2c(cc(cc2)N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.299554
LogD (pH = 7.4)
1.3033941
Log P
1.3034433
Molar Refractivity
39.5995
Polarizability
15.868421
Polar Surface Area
39.16
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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