Molecule

ID:83480

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO₅S
Molecular Mass
359.82512
Exact Mass
359.05942136
Charge
0
InChI
InChI=1S/C15H18ClNO5S/c16-10-12-9-11-5-7-15(12,8-6-11)22-23(20,21)14-3-1-13(2-4-14)17(18)19/h1-4,11-12H,5-10H2
InChIKey
ASEXREBOTPYZPZ-UHFFFAOYSA-N
Canonic Smiles
ClCC1CC2CCC1(CC2)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)[N+](=O)[O-])OC12C(CC(CC1)CC2)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7776344
LogD (pH = 7.4)
3.7776344
Log P
3.7776344
Molar Refractivity
86.1618
Polarizability
34.090744
Polar Surface Area
89.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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