Molecule

ID:129448

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-17-10-12-4-2-3-5-14(12)15(18)11-6-8-13(16)9-7-11/h2-9,15,17-18H,10H2,1H3
InChIKey
GMQRLEHODLAXAW-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1C(c1ccc(cc1)Cl)O
Isomeric Smiles
Clc1ccc(cc1)C(O)c1ccccc1CNC
Calculated Properties
JChem
Acid pKa
13.653655
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.019595254
LogD (pH = 7.4)
1.2796153
Log P
3.1525297
Molar Refractivity
75.2095
Polarizability
29.442865
Polar Surface Area
32.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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