Molecule

ID:11403

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-14(2)8-10(7-11(17)9-14)16-13-6-4-3-5-12(13)15/h3-7,16H,8-9,15H2,1-2H3
InChIKey
XNPJRPDGAPQDSN-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2ccccc2N)CC(C1)(C)C
Isomeric Smiles
C1(=CC(=O)CC(C1)(C)C)Nc1c(N)cccc1
Calculated Properties
JChem
Acid pKa
16.689623
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8461529
LogD (pH = 7.4)
1.8516352
Log P
1.8517056
Molar Refractivity
73.1016
Polarizability
26.445696
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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