Molecule

ID:58003

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H15ClN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKey
UCLPNTKRPMTACI-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(CCNC(=O)CCl)c[nH]c2cc1
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCl
Calculated Properties
JChem
Acid pKa
13.282957
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6849566
LogD (pH = 7.4)
1.6849561
Log P
1.6849566
Molar Refractivity
71.0331
Polarizability
28.435482
Polar Surface Area
54.12
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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