Molecule

ID:20154

General Information
Structure
Molecular Formula
C₁₈H₁₅NO
Molecular Mass
261.3178
Exact Mass
261.11536411
Charge
0
InChI
InChI=1S/C18H15NO/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H,19H2
InChIKey
JSKKUFIMCFTTRV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(Oc2ccc(N)cc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.259404
LogD (pH = 7.4)
4.2914085
Log P
4.2918324
Molar Refractivity
82.1354
Polarizability
32.88771
Polar Surface Area
35.25
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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