Molecule

ID:20162

General Information
Structure
Molecular Formula
C₁₉H₁₇NO
Molecular Mass
275.34438
Exact Mass
275.13101417
Charge
0
InChI
InChI=1S/C19H17NO/c20-17-8-12-19(13-9-17)21-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15/h1-13H,14,20H2
InChIKey
GAMYREXEPNQPLR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
O(c1ccc(N)cc1)c1ccc(Cc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7094364
LogD (pH = 7.4)
4.736051
Log P
4.736401
Molar Refractivity
86.7364
Polarizability
33.223454
Polar Surface Area
35.25
Rotatable Bonds
4
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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