Molecule

ID:42585

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-12(2)8-14(11(12)15)10-5-3-9(7-13)4-6-10/h3-6H,8H2,1-2H3
InChIKey
VFGGWQZAEJLDRF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)N1CC(C1=O)(C)C
Isomeric Smiles
N1(C(=O)C(C1)(C)C)c1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9684608
LogD (pH = 7.4)
1.9684608
Log P
1.9684608
Molar Refractivity
56.9743
Polarizability
21.829784
Polar Surface Area
44.1
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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