Chemical ID: 5570549

c1cc(cc(c1)[N+](=O)[O-])C=C(c2cccc(c2)[N+](=O)[O-])C(=O)O
Chemical ID:
5570549
Name [?]:
2,3-bis(3-nitrophenyl)prop-2-enoic acid
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=C(c2cccc(c2)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C15H10N2O6/c18-15(19)14(11-4-2-6-13(9-11)17(22)23)8-10-3-1-5-12(7-10)16(20)21/h1-9H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,6,15,4,10,17,3,12,5,16,11,21,7,18,22,23,8,9,19,20/E:(18,19)(20,21)(22,23)/CRV:16.5,17.5/rA:23nCCCCCCN+OO-CCCCCCCCN+OO-COO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-0.777569
Area:498.191
Solvation:-13.2323
Coulombic:-51.6799
Bond Count [?]
All:24
Single:14
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:314.25
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.3
LogP (Chemaxon):3.56

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