Molecule

ID:67890

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₃
Molecular Mass
312.363
Exact Mass
312.14739251
Charge
0
InChI
InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1
InChIKey
GKZIWHRNKRBEOH-HOTGVXAUSA-N
Canonic Smiles
N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
C(=O)([C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.18
LogD (pH = 5.5)
-0.07
Log P
-0.07
Rotatable Bonds
7
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.78
Polar Surface Area
92.42
Polarizability
33.00
Molar Refractivity
87.03
LOG S
-3.56
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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