ChemDB: Chemical Search
Download
Chemical ID: 7310615
Chemical ID:
7310615
Name [?]:
1-(4-hydroxyphenyl)-3-(4-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(ccc1C=CC(=O)c2ccc(cc2)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H11NO4/c17-14-8-4-12(5-9-14)15(18)10-3-11-1-6-13(7-2-11)16(19)20/h1-10,17H
InChi Info:
AuxInfo=1/0/N:1,5,7,12,16,2,4,13,15,8,6,11,3,14,9,18,17,10,19,20/E:(1,2)(4,5)(6,7)(8,9)(19,20)/CRV:16.5/rA:20nCCCCCCCCCOCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11NO4 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.41219 |
Area: | 479.724 |
Solvation: | -8.5809 |
Coulombic: | -37.5638 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 269.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.68 |
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 |
---|