Molecule
ID:120262
General Information
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-4-9(2)14(3)13(18)15-11-8-6-5-7-10(11)12(17)16-14/h5-9H,4H2,1-3H3,(H,15,18)(H,16,17)/t9-,14-/m0/s1
InChIKey
BUVRRPAYUUESJL-XPTSAGLGSA-N
Canonic Smiles
CC[C@@H]([C@]1(C)NC(=O)c2c(NC1=O)cccc2)C
Isomeric Smiles
N1C(=O)c2c(NC(=O)[C@@]1([C@H](CC)C)C)cccc2
Calculated Properties
JChem
Acid pKa
11.93156
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9701953
LogD (pH = 7.4)
2.9701834
Log P
2.9701955
Molar Refractivity
71.1408
Polarizability
26.521944
Polar Surface Area
58.2
Rotatable Bonds
2
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
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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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