Molecule
ID:118347
General Information
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12,13)
InChIKey
FVSWNQYFMNGPLF-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC1c1ccccc1
Isomeric Smiles
C1(=O)NC(=O)CC1c1ccccc1
Calculated Properties
JChem
Acid pKa
9.810457
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6832977
LogD (pH = 7.4)
0.6816534
Log P
0.6833187
Molar Refractivity
46.9509
Polarizability
18.249437
Polar Surface Area
46.17
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
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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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