Chemical ID: 5841255

c1cc(cc(c1)O)C=NNc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5841255
Name [?]:
3-[[4-(4-nitrophenyl)thiazol-2-yl]aminoiminomethyl]phenol
SMILES [?]:
c1cc(cc(c1)O)C=NNc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H12N4O3S/c21-14-3-1-2-11(8-14)9-17-19-16-18-15(10-24-16)12-4-6-13(7-5-12)20(22)23/h1-10,21H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,21,18,20,4,8,14,3,16,19,5,13,11,9,12,10,22,7,23,24,15/E:(4,5)(6,7)(22,23)/CRV:20.5/rA:24nCCCCCCOCNNCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:4.99981
Area:556.422
Solvation:-8.91074
Coulombic:-43.7698
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:340.358
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.54
LogP (Chemaxon):4.82

Name Annotations

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Descriptor Annotations

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