Molecule

ID:1737

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₅NO₇
Molecular Mass
365.4623
Exact Mass
365.24135247
Charge
0
InChI
InChI=1S/C17H35NO7/c1-2-3-4-5-6-7-8-15(23)18(9-10-19)11-13(21)16(24)17(25)14(22)12-20/h13-14,16-17,19-22,24-25H,2-12H2,1H3/t13-,14-,16+,17+/m1/s1
InChIKey
REPLXGVUTGZQCG-JHNDHUHGSA-N
Canonic Smiles
OCCN(C(=O)CCCCCCCC)C[C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O
Isomeric Smiles
CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
Calculated Properties
JChem
Acid pKa
12.646304
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-1.1165345
LogD (pH = 7.4)
-1.1165346
Log P
-1.1165322
Molar Refractivity
92.9268
Polarizability
37.079826
Polar Surface Area
141.69
Rotatable Bonds
15
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
0.31
LOG S
-1.56
Solubility (Water)
9.98e+00 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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