Molecule

ID:62693

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇Cl₂N₃O
Molecular Mass
230.13538
Exact Mass
229.07486754
Charge
0
InChI
InChI=1S/C7H15N3O.2ClH/c1-8-7(11)6-5-10(2)4-3-9-6;;/h6,9H,3-5H2,1-2H3,(H,8,11);2*1H
InChIKey
YFOFQHRAPNSMQS-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1NCCN(C1)C.Cl.Cl
Isomeric Smiles
C1(C(=O)NC)NCCN(C1)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.977147
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.23458
LogD (pH = 7.4)
-2.5346577
Log P
-1.2390858
Molar Refractivity
43.2923
Polarizability
17.160337
Polar Surface Area
44.37
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