Molecule

ID:82066

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₅Cl₂NO₄
Molecular Mass
460.4343
Exact Mass
459.19431397
Charge
0
InChI
InChI=1S/C23H35ClNO4.ClH/c1-16(2)20-11-6-17(3)14-21(20)29-22(26)15-25(4,5)12-13-28-23(27)18-7-9-19(24)10-8-18;/h7-10,16-17,20-21H,6,11-15H2,1-5H3;1H/q+1;/p-1
InChIKey
YZTGZQMOCKSEQT-UHFFFAOYSA-M
Canonic Smiles
CC1CCC(C(C1)OC(=O)C[N+](CCOC(=O)c1ccc(cc1)Cl)(C)C)C(C)C.[Cl-]
Isomeric Smiles
O(C1C(CCC(C1)C)C(C)C)C(=O)C[N+](CCOC(=O)c1ccc(cc1)Cl)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2438029
LogD (pH = 7.4)
1.2438029
Log P
1.2438029
Molar Refractivity
126.8585
Polarizability
45.751865
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
true
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
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References
Bioactivity
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