Chemical ID: 6277517

COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)OC
Chemical ID:
6277517
Name [?]:
methyl 2-(2-chloro-5-nitro-benzoyl)imino-3-(methoxycarbonylmethyl)benzothiazole-6-carboxylate
SMILES [?]:
COC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H14ClN3O7S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:5.06008
Area:631.206
Solvation:-10.7201
Coulombic:-69.7996
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:463.849
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.88
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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