Molecule

ID:82848

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃O₂
Molecular Mass
324.16204
Exact Mass
323.02283197
Charge
0
InChI
InChI=1S/C14H11Cl2N3O2/c15-11-12(16)18(8-17-11)6-3-7-19-13(20)9-4-1-2-5-10(9)14(19)21/h1-2,4-5,8H,3,6-7H2
InChIKey
IZVHFKIICYYCJU-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCCn2cnc(c2Cl)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)CCCn1c(c(Cl)nc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0256257
LogD (pH = 7.4)
2.0272422
Log P
2.027263
Molar Refractivity
81.6894
Polarizability
30.066
Polar Surface Area
55.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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