Molecule

ID:86949

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClNO₂
Molecular Mass
187.6235
Exact Mass
187.04000625
Charge
0
InChI
InChI=1S/C8H9NO2.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,9H2,1H3;1H
InChIKey
UMLFQRYMOHDCCK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N.Cl
Isomeric Smiles
O=C(c1ccc(cc1)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1470443
LogD (pH = 7.4)
1.1477873
Log P
1.1477969
Molar Refractivity
42.7837
Polarizability
15.890638
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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