Molecule

ID:64934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
InChIKey
ZEOILCADGXBXQW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1CNC2.Cl
Isomeric Smiles
c1cc2c(c(c1)C(=O)OC)CNC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4098971
LogD (pH = 7.4)
0.30058983
Log P
1.2862989
Molar Refractivity
49.8859
Polarizability
19.217203
Polar Surface Area
38.33
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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