Molecule
ID:121227
General Information
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-19-13(17)12(9-10-5-3-2-4-6-10)16-14(18)15-11-7-8-11/h2-6,11-12H,7-9H2,1H3,(H2,15,16,18)/t12-/m0/s1
InChIKey
YOUTWCBAEWGMIK-LBPRGKRZSA-N
Canonic Smiles
COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CC1
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)Cc1ccccc1)NC1CC1
Calculated Properties
JChem
Acid pKa
14.667841
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3980508
LogD (pH = 7.4)
1.3980508
Log P
1.3980508
Molar Refractivity
70.1138
Polarizability
27.45772
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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