Molecule

ID:22997

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
CQBPZUVCJMMOLJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.517146
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.165103
LogD (pH = 7.4)
2.1813555
Log P
2.1815667
Molar Refractivity
59.3238
Polarizability
21.871117
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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