Molecule

ID:31908

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-8-4-5-9(12)7-10(8)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKey
HSDUIRGOSMIAAD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)N1CCCC1=O)C
Isomeric Smiles
N1(c2cc(N)ccc2C)C(=O)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.95499474
LogD (pH = 7.4)
0.986109
Log P
0.98652065
Molar Refractivity
56.6738
Polarizability
21.063522
Polar Surface Area
46.33
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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