Molecule

ID:62112

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN₃
Molecular Mass
267.79758
Exact Mass
267.1502254
Charge
0
InChI
InChI=1S/C14H22ClN3/c1-11(2)18-6-3-4-12(5-7-18)8-13-9-14(15)17-10-16-13/h9-12H,3-8H2,1-2H3
InChIKey
LGFLNXDXMLKGOF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)CC1CCCN(CC1)C(C)C
Isomeric Smiles
N1(CCC(Cc2cc(ncn2)Cl)CCC1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.56440693
LogD (pH = 7.4)
0.31898522
Log P
2.8985064
Molar Refractivity
77.2497
Polarizability
29.604506
Polar Surface Area
29.02
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