Molecule

ID:68643

General Information
Structure
Molecular Formula
C₁₀H₁₄ClNO
Molecular Mass
199.67726
Exact Mass
199.07639175
Charge
0
InChI
InChI=1S/C10H13NO.ClH/c1-12-9-5-4-8-3-2-6-11-10(8)7-9;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKey
CGFHSMOLGAEIIE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)NCCC2.Cl
Isomeric Smiles
N1CCCc2ccc(cc12)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7370582
LogD (pH = 7.4)
1.7723409
Log P
1.7728099
Molar Refractivity
50.6256
Polarizability
18.70446
Polar Surface Area
21.26
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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