Molecule

ID:73208

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO₂
Molecular Mass
203.66596
Exact Mass
203.07130637
Charge
0
InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
InChIKey
OCYSGIYOVXAGKQ-FVGYRXGTSA-N
Canonic Smiles
CNC[C@@H](c1cccc(c1)O)O.Cl
Isomeric Smiles
c1(cccc(c1)[C@H](CNC)O)O.Cl
Calculated Properties
JChem
Acid pKa
9.067801
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.5509999
LogD (pH = 7.4)
-1.3510551
Log P
-0.070160724
Molar Refractivity
47.2494
Polarizability
18.594257
Polar Surface Area
52.49
Rotatable Bonds
3
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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