Molecule

ID:81987

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₃N₆P
Molecular Mass
371.633581
Exact Mass
370.03961428
Charge
0
InChI
InChI=1S/C11H18Cl3N6P/c1-18(2)10-8(7-15)9(11(12,13)14)16-21(17-10,19(3)4)20(5)6/h1-6H3
InChIKey
KUUVAMSMRNZQPX-UHFFFAOYSA-N
Canonic Smiles
N#CC1=C(N=P(N=C1C(Cl)(Cl)Cl)(N(C)C)N(C)C)N(C)C
Isomeric Smiles
P1(=NC(=C(C(=N1)C(Cl)(Cl)Cl)C#N)N(C)C)(N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.3132696
LogD (pH = 7.4)
1.3132793
Log P
1.3132794
Molar Refractivity
101.0882
Polarizability
34.38689
Polar Surface Area
58.23
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