Molecule

ID:30345

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c12-9-7-8(11(13)15)3-4-10(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKey
VANPPMZMBVEQLB-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCCC1)C(=O)N
Isomeric Smiles
c1(N2CCCC2)c(cc(C(=O)N)cc1)N
Calculated Properties
JChem
Acid pKa
15.391352
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.50504315
LogD (pH = 7.4)
0.50875396
Log P
0.50880146
Molar Refractivity
61.8064
Polarizability
22.078777
Polar Surface Area
72.35
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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