Molecule

ID:67262

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₃
Molecular Mass
163.21962
Exact Mass
163.11094743
Charge
0
InChI
InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey
OQZBAQXTXNIPRA-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ccncc1
Isomeric Smiles
N1(CCNCC1)c1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.629092
LogD (pH = 7.4)
-1.9294329
Log P
0.3276889
Molar Refractivity
49.0851
Polarizability
18.730158
Polar Surface Area
28.16
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
References
Bioactivity
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