Molecule

ID:104392

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₅NO₇
Molecular Mass
473.5586
Exact Mass
473.24135247
Charge
0
InChI
InChI=1S/C24H33NO3.C2H2O4/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
SSAJNPNVUYMUCI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.CCN(CCOC(=O)C(Cc1cccc2c1cccc2)CC1CCCO1)CC
Isomeric Smiles
CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1c2ccccc2ccc1.OC(=O)C(=O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4023602
LogD (pH = 7.4)
3.0139227
Log P
4.5827613
Molar Refractivity
113.7688
Polarizability
45.909866
Polar Surface Area
38.77
Rotatable Bonds
12
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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