ChemDB: Chemical Search
Download
Chemical ID: 4309397
Chemical ID:
4309397
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4C(=O)O)C2=O
InChi [?]:
InChI=1/C20H13NO4/c1-11-5-7-12(8-6-11)21-18(22)15-4-2-3-13-14(20(24)25)9-10-16(17(13)15)19(21)23/h2-10H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,3,7,4,6,19,18,2,5,15,20,11,17,16,9,24,21,8,10,25,22,23/E:(5,6)(7,8)(24,25)/rA:25nCCCCCCCNCOCCCCCCCCCCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;d21;s21;s8s17;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40714 |
Area: | 500.302 |
Solvation: | -3.10042 |
Coulombic: | -55.2569 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.29 |
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 |
---|