Molecule

ID:87206

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂N₆
Molecular Mass
144.17828
Exact Mass
144.11234441
Charge
0
InChI
InChI=1S/C4H12N6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H4,5,6,9)(H4,7,8,10)
InChIKey
MRXYVMXWTBRRSB-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NCCNC(=N)N
Isomeric Smiles
N=C(NCCNC(=N)N)N
Calculated Properties
JChem
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-6.9208717
LogD (pH = 7.4)
-6.918535
Log P
-2.0899842
Molar Refractivity
59.2978
Polarizability
14.158536
Polar Surface Area
123.8
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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