Molecule
ID:119674
General Information
Molecular Formula
C₁₈H₂₀N₂O₃
Molecular Mass
312.363
Exact Mass
312.14739251
Charge
0
InChI
InChI=1S/C18H20N2O3/c21-17(22)16(13-15-9-5-2-6-10-15)20-18(23)19-12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)(H2,19,20,23)
InChIKey
IOPNVZDAZXKDEU-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C(=O)O)Cc1ccccc1)NCCc1ccccc1
Isomeric Smiles
C(=O)(NC(C(=O)O)Cc1ccccc1)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.9997966
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.2900492
LogD (pH = 7.4)
-0.35946032
Log P
2.7997265
Molar Refractivity
87.5011
Polarizability
33.825417
Polar Surface Area
78.43
Rotatable Bonds
7
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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