Molecule

ID:30897

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11;/h2-5,12-13H,6-8H2,1H3;1H
InChIKey
CKVXGJQRCKARJU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1(O)CNCC1.Cl
Isomeric Smiles
C1(c2ccc(cc2)C)(CCNC1)O.Cl
Calculated Properties
JChem
Acid pKa
13.7099285
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0010948
LogD (pH = 7.4)
-1.4580642
Log P
1.2268846
Molar Refractivity
53.0957
Polarizability
20.880793
Polar Surface Area
32.26
Rotatable Bonds
1
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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