Molecule

ID:76307

General Information
Structure
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c1-11-5-2-3-8-14(11)16-13-7-4-6-12(9-13)10-15;/h2-9H,10,15H2,1H3;1H
InChIKey
ICOJZRXRWNBHRK-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)Oc1ccccc1C.Cl
Isomeric Smiles
O(c1ccccc1C)c1cccc(c1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.13614726
LogD (pH = 7.4)
1.1564025
Log P
3.1127229
Molar Refractivity
65.8134
Polarizability
25.83486
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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