Chemical ID: 4650761

COc1cc(cc(c1O)C=NNC(=O)Cn2nc(nn2)N)[N+](=O)[O-]
Chemical ID:
4650761
Name [?]:
2-(5-aminotetrazol-2-yl)-N-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
COc1cc(cc(c1O)C=NNC(=O)Cn2nc(nn2)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H12N8O5/c1-24-8-3-7(19(22)23)2-6(10(8)21)4-13-14-9(20)5-18-16-11(12)15-17-18/h2-4,21H,5H2,1H3,(H2,12,16)(H,14,20)
InChi Info:
AuxInfo=1/1/N:1,6,4,10,15,7,5,3,13,8,18,21,11,12,19,17,20,16,22,14,9,23,24,2/E:(22,23)/CRV:19.5/rA:24nCOCCCCCCOCNNCOCNNCNNNN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;s15;s16;d17;s18;s16d19;s18;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N8O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:0.816335
Area:527.801
Solvation:-12.3787
Coulombic:-70.2976
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:336.264
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:0.64
LogP (Chemaxon):0.06

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