Molecule

ID:12964

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c1-2-7-13-8-10(9-14)11-5-3-4-6-12(11)13/h2-6,8-9H,1,7H2
InChIKey
UFIVJAIYQNRQOK-UHFFFAOYSA-N
Canonic Smiles
C=CCn1cc(c2c1cccc2)C=O
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7394361
LogD (pH = 7.4)
2.7394361
Log P
2.7394361
Molar Refractivity
57.7879
Polarizability
22.784557
Polar Surface Area
22.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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