Molecule

ID:41282

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO₂
Molecular Mass
189.63938
Exact Mass
189.05565631
Charge
0
InChI
InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
InChIKey
DHEZQYZJFCIQQA-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1)OC.Cl
Isomeric Smiles
NOCc1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.189122
LogD (pH = 7.4)
1.2040722
Log P
1.2042662
Molar Refractivity
43.4068
Polarizability
16.897501
Polar Surface Area
44.48
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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