Molecule

ID:20145

General Information
Structure
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13;/h3-9H,15H2,1-2H3;1H
InChIKey
CFCRWDNGMYLTHI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(c(c1)C)C.Cl
Isomeric Smiles
c1cc(Oc2ccc(N)cc2)cc(c1C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6412728
LogD (pH = 7.4)
3.6710565
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.35405
Polar Surface Area
35.25
Rotatable Bonds
2
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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