Molecule

ID:46063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-8-2-4-9(5-3-8)12-10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKey
GEMMABPUAJJWDO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC1CNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(cc2)C)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0073158
LogD (pH = 7.4)
0.63721585
Log P
1.8528347
Molar Refractivity
47.988
Polarizability
19.099586
Polar Surface Area
21.26
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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