Molecule

ID:89298

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₂
Molecular Mass
199.6342
Exact Mass
199.04000625
Charge
0
InChI
InChI=1S/C9H10ClNO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3
InChIKey
XDJOZRQUCQQBCH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(c(c1)N)Cl
Isomeric Smiles
O=C(Cc1cc(c(cc1)Cl)N)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5313892
LogD (pH = 7.4)
1.5319991
Log P
1.5320069
Molar Refractivity
51.6399
Polarizability
19.65803
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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