Molecule

ID:74308

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₅
Molecular Mass
165.19574
Exact Mass
165.10144538
Charge
0
InChI
InChI=1S/C7H11N5/c1-3-12(4-2-8-1)7-10-5-9-6-11-7/h5-6,8H,1-4H2
InChIKey
QKOFSFOOALTCPW-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncncn1
Isomeric Smiles
n1cnc(nc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.7931485
LogD (pH = 7.4)
-1.1739227
Log P
0.10663354
Molar Refractivity
47.6516
Polarizability
16.973896
Polar Surface Area
53.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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