ChemDB: Chemical Search
Download
Chemical ID: 7721725
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|