Molecule

ID:19667

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-10(2)12-5-3-4-6-14(12)18-15-8-7-11(16)9-13(15)17/h3-10H,17H2,1-2H3
InChIKey
GEMWKGHTMCHDHU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1ccccc1C(C)C
Isomeric Smiles
O(c1c(C(C)C)cccc1)c1c(cc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
19.754614
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4933543
LogD (pH = 7.4)
4.493657
Log P
4.493661
Molar Refractivity
75.9948
Polarizability
29.102804
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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