Molecule

ID:42685

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO₂
Molecular Mass
149.14668
Exact Mass
149.04767847
Charge
0
InChI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InChIKey
YFZHODLXYNDBSM-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(C=C)cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6499321
LogD (pH = 7.4)
2.6499321
Log P
2.6499321
Molar Refractivity
42.0648
Polarizability
15.6975
Polar Surface Area
43.14
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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