Molecule

ID:64712

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c16-14-8-13-11-18(7-6-15(13)17-9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11,16H2
InChIKey
LZCBWYQNYNKFFL-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc2c(c1)CN(CC2)Cc1ccccc1
Isomeric Smiles
c12c(ncc(c2)N)CCN(C1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.74822956
LogD (pH = 7.4)
1.0287782
Log P
1.6622293
Molar Refractivity
74.4886
Polarizability
28.27227
Polar Surface Area
42.15
Rotatable Bonds
2
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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