ChemDB: Chemical Search
Download
Chemical ID: 5327634
Chemical ID:
5327634
Name [?]:
3-(3-chloro-4-hydroxy-phenyl)amino-4-(2-nitrophenyl)-pyrrole-2,5-dione
SMILES [?]:
c1ccc(c(c1)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,20,15,5,19,4,18,7,8,12,9,21,14,11,23,22,13,10,24,25/E:(24,25)/CRV:20.5/rA:25nCCCCCCCCCONCONCCCCCCClON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s9;s7s11;d12;s8;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10ClN3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.50965 |
Area: | 528.885 |
Solvation: | -8.71247 |
Coulombic: | -69.7396 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.721 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.22 |
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 |
---|