Molecule

ID:29090

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-12-3-2-4-14(11-12)17-9-10-18-15-7-5-13(16)6-8-15/h2-8,11,17H,9-10H2,1H3
InChIKey
PRCNXKZTSIDSDD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCNc1cccc(c1)C
Isomeric Smiles
c1(Cl)ccc(cc1)OCCNc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1829476
LogD (pH = 7.4)
4.207221
Log P
4.2075396
Molar Refractivity
76.65
Polarizability
29.043886
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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