Molecule

ID:41099

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O
Molecular Mass
257.33086
Exact Mass
257.15281224
Charge
0
InChI
InChI=1S/C15H19N3O/c1-16-7-9-18(10-8-16)15-13(11-19)12-5-3-4-6-14(12)17(15)2/h3-6,11H,7-10H2,1-2H3
InChIKey
DVQDZVQWEZQMSJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(N2CCN(CC2)C)n(c2c1cccc2)C
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.53461957
LogD (pH = 7.4)
1.9045227
Log P
2.0526407
Molar Refractivity
78.3572
Polarizability
30.35852
Polar Surface Area
28.48
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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