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Chemical ID: 7300255
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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