Molecule

ID:31752

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H15ClN2O2/c1-16-11-7-6-9(14)8-10(11)15-12(16)4-2-3-5-13(17)18/h6-8H,2-5H2,1H3,(H,17,18)
InChIKey
YKGSLMYIUJNXSY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCc1nc2c(n1C)ccc(c2)Cl
Isomeric Smiles
n1c(n(c2c1cc(cc2)Cl)C)CCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2997036
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4696419
LogD (pH = 7.4)
0.14329785
Log P
1.561512
Molar Refractivity
69.206
Polarizability
27.915604
Polar Surface Area
55.12
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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