Molecule

ID:55654

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂N₃
Molecular Mass
212.1201
Exact Mass
211.06430286
Charge
0
InChI
InChI=1S/C7H13N3.2ClH/c1-2-4-10-5-3-9-7(10)6-8;;/h3,5H,2,4,6,8H2,1H3;2*1H
InChIKey
MRGRIYFLALRPRL-UHFFFAOYSA-N
Canonic Smiles
CCCn1ccnc1CN.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CCC)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.279371
LogD (pH = 7.4)
-0.63405764
Log P
0.15671709
Molar Refractivity
40.9825
Polarizability
15.949977
Polar Surface Area
43.84
Rotatable Bonds
3
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