Molecule

ID:48407

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)10-7-12-6-9(11)13-10/h6-8H,2-5H2,1H3
InChIKey
RONDOTOMBIFVEX-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1cncc(n1)Cl
Isomeric Smiles
c1(nc(Cl)cnc1)N1C(C)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3315632
LogD (pH = 7.4)
2.3315654
Log P
2.3315654
Molar Refractivity
58.9132
Polarizability
21.954475
Polar Surface Area
29.02
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