Molecule

ID:45450

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-7(2)11(14)13-10-6-9(12)5-4-8(10)3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
JMLBCIAIEZFZCF-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cc(N)ccc1C)C
Isomeric Smiles
N(C(=O)C(C)C)c1cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
14.100456
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.100721
LogD (pH = 7.4)
2.1384702
Log P
2.1389737
Molar Refractivity
59.864
Polarizability
21.794062
Polar Surface Area
55.12
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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