Molecule

ID:35259

General Information
Structure
Molecular Formula
C₁₇H₁₈N₂O₂
Molecular Mass
282.33702
Exact Mass
282.13682783
Charge
0
InChI
InChI=1S/C17H18N2O2/c1-11-9-15(17(20)21)12(2)19(11)8-7-13-10-18-16-6-4-3-5-14(13)16/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)
InChIKey
RHHQMBPGVOBYNZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(c1C)CCc1c[nH]c2c1cccc2)C
Isomeric Smiles
c1(c(n(c(c1)C)CCc1c[nH]c2c1cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3911762
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3493985
LogD (pH = 7.4)
0.04027877
Log P
3.4454079
Molar Refractivity
83.7232
Polarizability
32.22136
Polar Surface Area
58.02
Rotatable Bonds
4
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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