Molecule

ID:104608

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H
InChIKey
WSVCGYSRZYNJMC-UHFFFAOYSA-N
Canonic Smiles
CC1NCCc2c1cc(O)c(c2)O.Cl
Isomeric Smiles
Cl.CC1NCCc2cc(O)c(O)cc12
Calculated Properties
JChem
Acid pKa
9.611088
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.6246938
LogD (pH = 7.4)
-0.115078285
Log P
0.9552438
Molar Refractivity
50.9962
Polarizability
19.616442
Polar Surface Area
52.49
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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