Molecule

ID:103965

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChIKey
OPNUROKCUBTKLF-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1ccccc1C)Nc1ccccc1C
Isomeric Smiles
Cc1c(NC(=N)Nc2c(C)cccc2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.7556194
LogD (pH = 7.4)
2.2711859
Log P
4.1581593
Molar Refractivity
88.6072
Polarizability
28.321169
Polar Surface Area
47.91
Rotatable Bonds
2
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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