Chemical ID: 6751288

Cc1cc([nH+]c2c1c(c(s2)C(=O)Nc3ccccc3C(=O)OC)N)C
Chemical ID:
6751288
Name [?]:
methyl 2-[(7-amino-3,5-dimethyl-9-thia-2-azoniabicyclo[4.3.0]nona-1,3,5,7-tetraen-8-yl)carbonylamino]benzoate
SMILES [?]:
Cc1cc([nH+]c2c1c(c(s2)C(=O)Nc3ccccc3C(=O)OC)N)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N3O3S+
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-18.9934
Area:542.473
Solvation:-32.5553
Coulombic:-50.8328
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.42
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.25
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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