Molecule

ID:25244

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₄
Molecular Mass
180.25014
Exact Mass
180.13749653
Charge
0
InChI
InChI=1S/C9H16N4/c1-12-7-9(6-11-12)8-13-4-2-10-3-5-13/h6-7,10H,2-5,8H2,1H3
InChIKey
QQINQSPEYDVMCD-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1)CN1CCNCC1
Isomeric Smiles
c1(cn(nc1)C)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.336932
LogD (pH = 7.4)
-2.0147748
Log P
-0.19342571
Molar Refractivity
64.2595
Polarizability
20.423841
Polar Surface Area
33.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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