Molecule

ID:11629

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(8-9-15(19)20)16-12-4-6-13(7-5-12)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2,(H,16,18)(H,19,20)
InChIKey
LUUNYEARQACGDQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N1CCCCC1)CCC(=O)O
Isomeric Smiles
N1(c2ccc(NC(=O)CCC(=O)O)cc2)CCCCC1
Calculated Properties
JChem
Acid pKa
4.1167216
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.48675984
LogD (pH = 7.4)
-1.0557656
Log P
0.71548116
Molar Refractivity
78.3849
Polarizability
29.036774
Polar Surface Area
69.64
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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