Molecule

ID:44637

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c12-10-5-3-9(4-6-10)11(15)14-8-2-1-7-13-14/h3-6,13H,1-2,7-8,12H2
InChIKey
BUCMPIYSGGLZOO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCCCN1
Isomeric Smiles
C(=O)(N1NCCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5283742
LogD (pH = 7.4)
0.55133444
Log P
0.5516341
Molar Refractivity
71.0861
Polarizability
22.361612
Polar Surface Area
58.36
Rotatable Bonds
1
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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