Molecule

ID:14618

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O
Molecular Mass
233.30946
Exact Mass
233.15281224
Charge
0
InChI
InChI=1S/C13H19N3O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9,14H2,1H3,(H,15,17)
InChIKey
NGMMOWLGEFIAAV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1C)N)CN1CCCC1
Isomeric Smiles
c1(NC(=O)CN2CCCC2)c(cc(cc1)N)C
Calculated Properties
JChem
Acid pKa
15.20527
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8048772
LogD (pH = 7.4)
0.8411432
Log P
1.1927476
Molar Refractivity
71.6326
Polarizability
26.275023
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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