ChemDB: Chemical Search
Download
Chemical ID: 4165525
Chemical ID:
4165525
Name [?]:
1-phenylpyrrole-2,5-dione
SMILES [?]:
c1ccc(cc1)N2C(=O)C=CC2=O
InChi [?]:
InChI=1/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,11,4,8,12,7,9,13/E:(2,3)(4,5)(6,7)(9,10)(12,13)/rA:13nCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s7s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.89081 |
Area: | 324.073 |
Solvation: | -2.211 |
Coulombic: | -26.0248 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.168 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.27 |
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 |
---|