Molecule

ID:46088

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClNO
Molecular Mass
273.75734
Exact Mass
273.09204182
Charge
0
InChI
InChI=1S/C16H16ClNO/c17-14-6-7-16(19-15-10-18-11-15)13(9-14)8-12-4-2-1-3-5-12/h1-7,9,15,18H,8,10-11H2
InChIKey
MZRZFPZTJJTRMI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OC1CNC1
Isomeric Smiles
c1(c(OC2CNC2)ccc(c1)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1858468
LogD (pH = 7.4)
2.836581
Log P
4.035252
Molar Refractivity
77.4888
Polarizability
30.543968
Polar Surface Area
21.26
Rotatable Bonds
4
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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