Molecule

ID:101352

General Information
Structure
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H13NO.ClH/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;/h1-9H,10,14H2;1H
InChIKey
VHCSCKHIGGFTHN-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1ccccc1.Cl
Isomeric Smiles
O(c1ccc(cc1)CN)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.38649243
LogD (pH = 7.4)
0.56915814
Log P
2.5993013
Molar Refractivity
60.7722
Polarizability
24.067823
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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