Molecule

ID:76187

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅N₃
Molecular Mass
165.2355
Exact Mass
165.1265975
Charge
0
InChI
InChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3
InChIKey
PEQPPVGTDBKQPE-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccnc1)N(C)C
Isomeric Smiles
N(C(c1cccnc1)CN)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6091967
LogD (pH = 7.4)
-1.6042062
Log P
-0.040246584
Molar Refractivity
50.0638
Polarizability
19.862774
Polar Surface Area
42.15
Rotatable Bonds
3
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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