Molecule
ID:121319
General Information
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-10(2)15-14(18)16-12(13(17)19-3)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,15,16,18)/t12-/m0/s1
InChIKey
OOWANAJPXBNXDZ-LBPRGKRZSA-N
Canonic Smiles
COC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)Cc1ccccc1)NC(C)C
Calculated Properties
JChem
Acid pKa
14.798463
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7058692
LogD (pH = 7.4)
1.7058692
Log P
1.7058692
Molar Refractivity
72.07
Polarizability
28.178902
Polar Surface Area
67.43
Rotatable Bonds
6
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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