Chemical ID: 4650942

c1cc(c(cc1[N+](=O)[O-])C=NNC(=O)Cn2nc(nn2)N)O
Chemical ID:
4650942
Name [?]:
2-(5-aminotetrazol-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])C=NNC(=O)Cn2nc(nn2)N)O
InChi [?]:
InChI=1/C10H10N8O4/c11-10-14-16-17(15-10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H2,11,15)(H,13,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,15,4,6,3,13,18,21,11,12,19,17,20,16,7,22,14,8,9/E:(21,22)/CRV:18.5/rA:22nCCCCCCN+OO-CNNCOCNNCNNNO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;w10;s11;s12;d13;s13;s15;s16;d17;s18;s16d19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N8O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.02328
Area:494.291
Solvation:-11.334
Coulombic:-64.0116
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:306.238
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:0.72
LogP (Chemaxon):0.31

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Descriptor Annotations

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