Molecule
ID:124954
General Information
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,17)
InChIKey
PXADIMWHZWCHOB-UHFFFAOYSA-N
Canonic Smiles
O=C1NC2(CCCCCC2)Nc2c1cccc2
Isomeric Smiles
C1(=O)NC2(Nc3c1cccc3)CCCCCC2
Calculated Properties
JChem
Acid pKa
13.35188
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2856693
LogD (pH = 7.4)
3.285669
Log P
3.2856696
Molar Refractivity
69.2689
Polarizability
25.730848
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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