ChemDB: Chemical Search
Download
Chemical ID: 4806192
Chemical ID:
4806192
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])C
InChi [?]:
InChI=1/C19H14N2O5/c1-10-3-8-14-13(9-10)17(22)15-16(20(2)19(23)18(15)26-14)11-4-6-12(7-5-11)21(24)25/h3-9,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,18,22,19,21,4,7,2,17,20,6,5,10,16,8,11,13,15,23,9,14,24,25,12/E:(4,5)(6,7)(24,25)/CRV:21.5/rA:26cCCCCCCCCOCCOCONCCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.8287 |
Area: | 533.211 |
Solvation: | -8.50159 |
Coulombic: | -46.6198 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 350.325 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.08 |
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 |
---|