Molecule

ID:73409

General Information
Structure
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c10-6-3-4-8(11)9-5-1-2-7-12-9/h1-2,5,7-8H,3-4,6,10-11H2
InChIKey
JPEKECSPVXJPOL-UHFFFAOYSA-N
Canonic Smiles
NCCCC(c1ccccn1)N
Isomeric Smiles
n1ccccc1C(N)CCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.9168973
LogD (pH = 7.4)
-4.0609026
Log P
-0.044891395
Molar Refractivity
49.0574
Polarizability
19.863941
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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