Chemical ID: 6274620

C=CCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)Cl)[N+](=O)[O-]
Chemical ID:
6274620
Name [?]:
N-(3-allyl-6-nitro-benzothiazol-2-ylidene)-2,5-dichloro-benzamide
SMILES [?]:
C=CCn1c2ccc(cc2sc1=NC(=O)c3cc(ccc3Cl)Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11Cl2N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.58381
Area:568.853
Solvation:-7.63753
Coulombic:-36.7266
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:408.259
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.47
LogP (Chemaxon):6.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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