Molecule

ID:36990

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9,16H2,(H,17,18)
InChIKey
NSZOTDJQIOUVRN-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)Cl)COc1ccc(cc1)N
Isomeric Smiles
c1c(ccc(c1)NC(=O)COc1ccc(cc1)N)Cl
Calculated Properties
JChem
Acid pKa
12.561351
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4146535
LogD (pH = 7.4)
2.5017426
Log P
2.5029786
Molar Refractivity
76.3883
Polarizability
28.489433
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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