Chemical ID: 7721725

c1ccc2cc(c(cc2c1)C(=O)NN=Cc3cc(sc3)[N+](=O)[O-])O
Chemical ID:
7721725
Name [?]:
None
SMILES [?]:
c1ccc2cc(c(cc2c1)C(=O)NN=Cc3cc(sc3)[N+](=O)[O-])O
InChi [?]:
InChI=1/C16H11N3O4S/c20-14-7-12-4-2-1-3-11(12)6-13(14)16(21)18-17-8-10-5-15(19(22)23)24-9-10/h1-9,20H,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,17,8,5,15,20,16,9,4,7,6,18,11,14,13,21,24,12,22,23,19/E:(22,23)/CRV:19.5/rA:24nCCCCCCCCCCCONNCCCCSCN+OO-O/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s11;s13;w14;s15;s16;d17;s18;d16s19;s18;d21;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3O4S
All Atoms:35
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:3.02618
Area:553.063
Solvation:-10.8004
Coulombic:-46.2237
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.4
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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