Molecule

ID:14619

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O
Molecular Mass
261.36262
Exact Mass
261.18411237
Charge
0
InChI
InChI=1S/C15H23N3O/c1-11-5-7-18(8-6-11)10-15(19)17-14-4-3-13(16)9-12(14)2/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKey
KWXJNDJYYJHGFR-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CC(=O)Nc1ccc(cc1C)N
Isomeric Smiles
c1(NC(=O)CN2CCC(CC2)C)c(cc(cc1)N)C
Calculated Properties
JChem
Acid pKa
15.20527
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.11438519
LogD (pH = 7.4)
1.5485455
Log P
1.9243354
Molar Refractivity
80.7822
Polarizability
29.961031
Polar Surface Area
58.36
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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