Molecule

ID:81533

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c12-7-11(14)15-13-10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2
InChIKey
UTWOHTYFMIFTMJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)O/N=C/1\CCc2c1cccc2
Isomeric Smiles
N(=C\1/c2ccccc2CC1)\OC(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5262446
LogD (pH = 7.4)
2.5262723
Log P
2.5262725
Molar Refractivity
57.4521
Polarizability
22.062561
Polar Surface Area
38.66
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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