Molecule

ID:74339

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₄
Molecular Mass
180.25014
Exact Mass
180.13749653
Charge
0
InChI
InChI=1S/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2
InChIKey
WTDMCLGFEXQYOU-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCn1cncc1
Isomeric Smiles
n1(cncc1)CCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.116228
LogD (pH = 7.4)
-2.3751895
Log P
-0.43883198
Molar Refractivity
52.684
Polarizability
20.433718
Polar Surface Area
33.09
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