Chemical ID: 5720612

CCOc1cc(ccc1OC)C=CC(=O)c2ccc(c(c2)[N+](=O)[O-])C
Chemical ID:
5720612
Name [?]:
3-(3-ethoxy-4-methoxy-phenyl)-1-(4-methyl-3-nitro-phenyl)-prop-2-en-1-one
SMILES [?]:
CCOc1cc(ccc1OC)C=CC(=O)c2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C19H19NO5/c1-4-25-19-11-14(7-10-18(19)24-3)6-9-17(21)15-8-5-13(2)16(12-15)20(22)23/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,11,2,18,12,7,17,13,8,5,21,19,6,16,20,14,9,4,22,15,23,24,10,3/E:(22,23)/CRV:20.5/rA:25nCCOCCCCCCOCCCCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:3.26076
Area:557.792
Solvation:-10.684
Coulombic:-34.7536
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:341.358
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.83
LogP (Chemaxon):4.27

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