Molecule

ID:48351

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c1-8-4-2-3-5-14(8)10-6-9(11)12-7-13-10/h6-8H,2-5H2,1H3
InChIKey
OUMAMNHWQNPJHE-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1ncnc(c1)Cl
Isomeric Smiles
c1(N2C(C)CCCC2)cc(ncn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8425052
LogD (pH = 7.4)
2.8433886
Log P
2.8433998
Molar Refractivity
59.8913
Polarizability
21.941301
Polar Surface Area
29.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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