Chemical ID: 4673574

c1ccc(c(c1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-])O
Chemical ID:
4673574
Name [?]:
2-hydroxy-N-(6-nitrobenzothiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nc3ccc(cc3s2)[N+](=O)[O-])O
InChi [?]:
InChI=1/C14H9N3O4S/c18-11-4-2-1-3-9(11)13(19)16-14-15-10-6-5-8(17(20)21)7-12(10)22-14/h1-7,18H,(H,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,13,16,15,5,12,4,17,7,10,11,9,19,22,8,20,21,18/E:(20,21)/CRV:17.5/rA:22nCCCCCCCONCNCCCCCCSN+OO-O/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.17391
Area:498.006
Solvation:-9.27624
Coulombic:-52.8321
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.305
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.69
LogP (Chemaxon):3.81

Name Annotations

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Descriptor Annotations

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