Chemical ID: 5756322

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
Chemical ID:
5756322
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C25H18O5/c26-22(13-6-19-7-14-23-24(16-19)29-17-28-23)20-9-11-21(12-10-20)30-25(27)15-8-18-4-2-1-3-5-18/h1-16H,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,23,7,14,16,13,17,20,24,8,27,29,4,22,15,12,18,25,26,9,19,10,30,28,11/E:(2,3)(4,5)(9,10)(11,12)/rA:30nCCCCCCCCCOOCCCCCCCOCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.3032
Area:616.718
Solvation:-5.11471
Coulombic:-46.1913
Bond Count [?]
All:33
Single:20
Double:13
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:398.407
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.38
LogP (Chemaxon):5.52

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Descriptor Annotations

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