Molecule

ID:23143

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅Cl₃N₂O₂
Molecular Mass
373.6615
Exact Mass
372.01991077
Charge
0
InChI
InChI=1S/C16H15Cl3N2O2/c17-10-3-6-15(13(19)8-10)23-7-1-2-16(22)21-11-4-5-12(18)14(20)9-11/h3-6,8-9H,1-2,7,20H2,(H,21,22)
InChIKey
IIOOGWJNVVGUMK-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)N)Cl)CCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(NC(=O)CCCOc2c(cc(cc2)Cl)Cl)ccc1Cl)N
Calculated Properties
JChem
Acid pKa
14.080102
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.2364125
LogD (pH = 7.4)
4.2367377
Log P
4.2367415
Molar Refractivity
95.4523
Polarizability
35.997715
Polar Surface Area
64.35
Rotatable Bonds
6
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