Molecule

ID:28776

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-18-15-9-5-3-7-13(15)11-17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11H2,1H3
InChIKey
RYMKQWGZWMFKJW-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCc1ccccc1Cl
Isomeric Smiles
c1(c(Cl)cccc1)CNCc1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3989965
LogD (pH = 7.4)
3.1179945
Log P
3.7024412
Molar Refractivity
75.1866
Polarizability
29.515247
Polar Surface Area
21.26
Rotatable Bonds
5
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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