Molecule

ID:132442

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂Cl₂N₂O₇
Molecular Mass
519.41538
Exact Mass
518.15865673
Charge
0
InChI
InChI=1S/C19H26Cl2N2O.C4H6O6/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;5-1(3(7)8)2(6)4(9)10/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t17-,18+;/m0./s1
InChIKey
DMBKHRMAGYYBJM-CJRXIRLBSA-N
Canonic Smiles
O=C(N([C@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl.OC(=O)C(C(C(=O)O)O)O
Isomeric Smiles
CN([C@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8841541
LogD (pH = 7.4)
2.0654433
Log P
4.2984037
Molar Refractivity
100.2343
Polarizability
39.308075
Polar Surface Area
23.55
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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