Molecule

ID:132440

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
InChIKey
ZRJBHWIHUMBLCN-QDEBKDIKSA-N
Canonic Smiles
C/C=C/1\C2C=C(CC1(N)c1c(C2)[nH]c(=O)cc1)C
Isomeric Smiles
C/C=C/1\C2Cc3c(ccc(=O)[nH]3)C1(CC(=C2)C)N
Calculated Properties
JChem
Acid pKa
11.107823
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3114355
LogD (pH = 7.4)
-1.0717244
Log P
0.6177158
Molar Refractivity
75.795
Polarizability
27.949518
Polar Surface Area
55.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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