ChemDB: Chemical Search
Download
Chemical ID: 5327578
Chemical ID:
5327578
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2c(=O)c4cccc5c4c3ccc5C(=O)O
InChi [?]:
InChI=1/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,6,3,20,19,16,21,18,12,5,4,17,8,10,22,7,9,11,23,24/E:(23,24)/rA:24nCCCCCCNCNCOCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;d18;s19;s16d20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H10N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41185 |
Area: | 468.614 |
Solvation: | -2.30351 |
Coulombic: | -51.8031 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 314.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.46 |
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 |
---|