Molecule

ID:34873

General Information
Structure
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c20-17-14-8-4-3-7-13(14)15(18(21)22)16-12-6-2-1-5-11(12)9-10-19(16)17/h1-8,15-16H,9-10H2,(H,21,22)
InChIKey
NALYKCAPMIMICB-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(C2N1CCc1c2cccc1)C(=O)O
Isomeric Smiles
N12C(C(c3c(C1=O)cccc3)C(=O)O)c1c(CC2)cccc1
Calculated Properties
JChem
Acid pKa
3.983262
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.988338
LogD (pH = 7.4)
-0.6546907
Log P
2.5139074
Molar Refractivity
81.9177
Polarizability
31.007616
Polar Surface Area
57.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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