Molecule

ID:86668

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO
Molecular Mass
261.3178
Exact Mass
261.11536411
Charge
0
InChI
InChI=1S/C18H15NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,20H
InChIKey
MRHLFZXYRABVOZ-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccncc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1ccc(cc1)C(c1ccccc1)(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
12.613707
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3227582
LogD (pH = 7.4)
3.419281
Log P
3.4207056
Molar Refractivity
81.1546
Polarizability
31.11239
Polar Surface Area
33.12
Rotatable Bonds
3
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
References
Bioactivity
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