Molecule

ID:90209

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNO₂
Molecular Mass
201.65008
Exact Mass
201.05565631
Charge
0
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-3-2-4-8(10)5-7;/h2-5H,6,10H2,1H3;1H
InChIKey
OOGVJPZOIXNNHQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cccc(c1)N.Cl
Isomeric Smiles
O=C(Cc1cccc(c1)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9054094
LogD (pH = 7.4)
0.9276708
Log P
0.9279622
Molar Refractivity
46.8351
Polarizability
17.755497
Polar Surface Area
52.32
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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