Molecule

ID:20112

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆ClNO
Molecular Mass
285.76804
Exact Mass
285.09204182
Charge
0
InChI
InChI=1S/C17H15NO.ClH/c18-15-8-10-16(11-9-15)19-12-14-6-3-5-13-4-1-2-7-17(13)14;/h1-11H,12,18H2;1H
InChIKey
OFUWRCJZPVGYGF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCc1cccc2c1cccc2.Cl
Isomeric Smiles
c1c(COc2ccc(N)cc2)c2c(cc1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.570332
LogD (pH = 7.4)
3.6986864
Log P
3.7005985
Molar Refractivity
78.2844
Polarizability
31.204773
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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