Molecule

ID:62367

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇ClN₄O
Molecular Mass
244.72118
Exact Mass
244.10908886
Charge
0
InChI
InChI=1S/C10H16N4O.ClH/c11-9-6-12-14(7-9)8-10(15)13-4-2-1-3-5-13;/h6-7H,1-5,8,11H2;1H
InChIKey
RVXDQLSUSSMJMY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)Cn1ncc(c1)N.Cl
Isomeric Smiles
n1(ncc(c1)N)CC(=O)N1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.45909366
LogD (pH = 7.4)
-0.45906153
Log P
-0.45906112
Molar Refractivity
69.504
Polarizability
21.665201
Polar Surface Area
64.15
Rotatable Bonds
2
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