Molecule

ID:82340

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄IN₃
Molecular Mass
255.09993
Exact Mass
255.02324546
Charge
0
InChI
InChI=1S/C6H13N3.HI/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
InChIKey
MKDZAWNSOJLXKY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N1CCCCC1.I
Isomeric Smiles
N1(C(=N)N)CCCCC1.I
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2623415
LogD (pH = 7.4)
-2.2619586
Log P
0.15311258
Molar Refractivity
48.0701
Polarizability
14.052864
Polar Surface Area
53.11
Rotatable Bonds
0
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