Molecule

ID:77602

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₃
Molecular Mass
253.68158
Exact Mass
253.05057093
Charge
0
InChI
InChI=1S/C12H12ClNO3/c13-5-7-17-8-6-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChIKey
DCWWMFNXTOGDNJ-UHFFFAOYSA-N
Canonic Smiles
ClCCOCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CCOCCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5346135
LogD (pH = 7.4)
1.5346135
Log P
1.5346135
Molar Refractivity
64.5983
Polarizability
24.09601
Polar Surface Area
46.61
Rotatable Bonds
5
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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