Chemical ID: 7310615

c1cc(ccc1C=CC(=O)c2ccc(cc2)O)[N+](=O)[O-]
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue