Molecule

ID:101876

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)9-6-4-8(5-7-9)10(12)13-14/h4-7,14H,1-3H3,(H2,12,13)
InChIKey
QUCZBZUPJKDIRP-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)C(C)(C)C)\N
Isomeric Smiles
C(=N\O)(/c1ccc(C(C)(C)C)cc1)\N
Calculated Properties
JChem
Acid pKa
10.39303
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2366576
LogD (pH = 7.4)
2.4318318
Log P
2.4355888
Molar Refractivity
57.7461
Polarizability
21.996502
Polar Surface Area
58.61
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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