Chemical ID: 6215874

c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCCC3
Chemical ID:
6215874
Name [?]:
3-nitro-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2nc3c(s2)CCCC3
InChi [?]:
InChI=1/C14H13N3O3S/c18-13(9-4-3-5-10(8-9)17(19)20)16-14-15-11-6-1-2-7-12(11)21-14/h3-5,8H,1-2,6-7H2,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:20,19,1,2,6,21,18,4,3,5,15,16,10,13,14,12,7,11,8,9,17/E:(19,20)/CRV:17.5/rA:21nCCCCCCN+OO-CONCNCCSCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.4022
Area:492.517
Solvation:-7.91074
Coulombic:-37.4841
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.337
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.9
LogP (Chemaxon):3.08

Name Annotations

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Descriptor Annotations

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