Molecule

ID:36932

General Information
Structure
Molecular Formula
C₁₅H₁₉N₃O
Molecular Mass
257.33086
Exact Mass
257.15281224
Charge
0
InChI
InChI=1S/C15H19N3O/c16-8-6-15(19)18-12-10-17(11-13-18)9-7-14-4-2-1-3-5-14/h1-5H,6-7,9-13H2
InChIKey
QVYHSIFSHFARTL-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)N1CCN(CC1)CCc1ccccc1
Isomeric Smiles
N1(CCN(CC1)CCc1ccccc1)C(=O)CC#N
Calculated Properties
JChem
Acid pKa
12.433449
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.4679054
LogD (pH = 7.4)
1.0176764
Log P
1.2274951
Molar Refractivity
75.0004
Polarizability
28.672186
Polar Surface Area
47.34
Rotatable Bonds
4
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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