Molecule

ID:38419

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₆
Molecular Mass
315.3621
Exact Mass
315.16818753
Charge
0
InChI
InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKey
NLPQIWFEEKQBBN-NSHDSACASA-N
Canonic Smiles
O=C(OC1CCCCC1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC1CCCCC1
Calculated Properties
JChem
Acid pKa
3.9146597
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.62517047
LogD (pH = 7.4)
-0.98921704
Log P
2.2167387
Molar Refractivity
77.189
Polarizability
30.936178
Polar Surface Area
101.93
Rotatable Bonds
8
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
No Data Available
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Molecule Details
References
Bioactivity
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