Molecule

ID:66352

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-10-7-8-3-5-9(11-2)6-4-8;/h3-6,10H,7H2,1-2H3;1H
InChIKey
NNANAKYVZOHKHW-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)OC.Cl
Isomeric Smiles
N(Cc1ccc(cc1)OC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8112401
LogD (pH = 7.4)
-0.7874209
Log P
1.3739234
Molar Refractivity
45.7692
Polarizability
18.066713
Polar Surface Area
21.26
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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