Chemical ID: 7300255

COc1cccc(c1)C=CC(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
7300255
Name [?]:
N-benzo[1,3]dioxol-5-yl-3-(3-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1cccc(c1)C=CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C17H15NO4/c1-20-14-4-2-3-12(9-14)5-8-17(19)18-13-6-7-15-16(10-13)22-11-21-15/h2-10H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,9,15,16,10,8,19,21,7,14,3,17,18,11,13,12,2,22,20/rA:22nCOCCCCCCCCCONCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO4
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.52103
Area:504.669
Solvation:-5.0957
Coulombic:-44.6988
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:297.305
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):3.12

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