Molecule

ID:33897

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-10-4-3-7-15(9-10)12-11(8-13)5-2-6-14-12/h2,5-6,10H,3-4,7,9H2,1H3
InChIKey
AGHYQCZLRZJKLW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCCC(C1)C
Isomeric Smiles
N1(c2c(C#N)cccn2)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.528585
LogD (pH = 7.4)
2.5294983
Log P
2.52951
Molar Refractivity
60.9784
Polarizability
22.72242
Polar Surface Area
39.92
Rotatable Bonds
1
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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