Molecule

ID:36102

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-13-9-4-3-8(12)5-7(9)6-10(13)11(14)15-2/h3-6H,1-2H3
InChIKey
YPVSROYNLULNDU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(n1C)ccc(c2)Cl
Isomeric Smiles
c1c(ccc2n(c(cc12)C(=O)OC)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8232067
LogD (pH = 7.4)
2.8232067
Log P
2.8232067
Molar Refractivity
58.7488
Polarizability
23.583645
Polar Surface Area
31.23
Rotatable Bonds
2
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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