Molecule

ID:11434

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(8-9-15(19)20)16-12-6-2-3-7-13(12)17-10-4-1-5-11-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,18)(H,19,20)
InChIKey
WQFJIMIQIBQSGI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1N1CCCCC1)CCC(=O)O
Isomeric Smiles
N1(c2c(NC(=O)CCC(=O)O)cccc2)CCCCC1
Calculated Properties
JChem
Acid pKa
3.9409049
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.68399024
LogD (pH = 7.4)
-1.0160104
Log P
1.3509841
Molar Refractivity
78.3849
Polarizability
29.038443
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation