Molecule

ID:55508

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₄
Molecular Mass
251.15614
Exact Mass
250.07520189
Charge
0
InChI
InChI=1S/C9H14N4.2ClH/c10-8-1-5-13(6-2-8)9-7-11-3-4-12-9;;/h3-4,7-8H,1-2,5-6,10H2;2*1H
InChIKey
VXWFDFKXTVZONK-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)c1nccnc1.Cl.Cl
Isomeric Smiles
c1cncc(n1)N1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.5679982
LogD (pH = 7.4)
-3.0336688
Log P
-0.54841983
Molar Refractivity
51.8681
Polarizability
19.678484
Polar Surface Area
55.04
Rotatable Bonds
1
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