Molecule

ID:81653

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClN₂O₂
Molecular Mass
264.70752
Exact Mass
264.06655535
Charge
0
InChI
InChI=1S/C13H13ClN2O2/c1-2-3-12-11(13(17)18)8-15-16(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H,17,18)
InChIKey
RTLVBOYPVGHHGC-UHFFFAOYSA-N
Canonic Smiles
CCCc1c(cnn1c1ccc(cc1)Cl)C(=O)O
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(c(cn1)C(=O)O)CCC
Calculated Properties
JChem
Acid pKa
3.2450502
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2401767
LogD (pH = 7.4)
0.04771912
Log P
3.4873443
Molar Refractivity
70.7554
Polarizability
27.051634
Polar Surface Area
55.12
Rotatable Bonds
4
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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