Molecule

ID:24924

General Information
Structure
Molecular Formula
C₁₃H₁₃ClN₂O₂
Molecular Mass
264.70752
Exact Mass
264.06655535
Charge
0
InChI
InChI=1S/C13H13ClN2O2/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(6-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey
GJHQJRIFWUSACQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)Cn1nc(c(c1C)Cl)C
Isomeric Smiles
n1(nc(c(c1C)Cl)C)Cc1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
4.0455713
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2377647
LogD (pH = 7.4)
-0.42296442
Log P
2.545453
Molar Refractivity
81.3762
Polarizability
26.27514
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation