Molecule

ID:113243

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H
InChIKey
UYESUYBXKHPUDU-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccn1)c1ccccc1
Isomeric Smiles
C(c1ncccc1)(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.075423
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9846286
LogD (pH = 7.4)
2.005846
Log P
2.006125
Molar Refractivity
54.5527
Polarizability
21.48955
Polar Surface Area
33.12
Rotatable Bonds
2
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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