Molecule

ID:5883

General Information
Structure
Molecular Formula
C₁₄H₂₆N₂O₃
Molecular Mass
270.36784
Exact Mass
270.1943427
Charge
0
InChI
InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
InChIKey
GYTIWWDVOFXKPF-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CCCCC1)NCCCCCCC(=O)O
Isomeric Smiles
C1(NC(=O)NCCCCCCC(=O)O)CCCCC1
Calculated Properties
JChem
Acid pKa
4.4855704
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1669431
LogD (pH = 7.4)
-0.60046357
Log P
2.2201521
Molar Refractivity
73.2922
Polarizability
28.670403
Polar Surface Area
78.43
Rotatable Bonds
8
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.38
LOG S
-3.07
Solubility (Water)
2.31e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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