Molecule

ID:73408

General Information
Structure
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c10-5-1-4-9(11)8-3-2-6-12-7-8/h2-3,6-7,9H,1,4-5,10-11H2
InChIKey
LGHCAIYBGGPNPE-UHFFFAOYSA-N
Canonic Smiles
NCCCC(c1cccnc1)N
Isomeric Smiles
n1cc(ccc1)C(N)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.285272
LogD (pH = 7.4)
-4.872377
Log P
-0.2785525
Molar Refractivity
49.5045
Polarizability
19.863005
Polar Surface Area
64.93
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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