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Chemical ID: 6320969
Chemical ID:
6320969
Name [?]:
N-(3-methoxyphenyl)prop-2-enamide
SMILES [?]:
COc1cccc(c1)NC(=O)C=C
InChi [?]:
InChI=1/C10H11NO2/c1-3-10(12)11-8-5-4-6-9(7-8)13-2/h3-7H,1H2,2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:13,1,12,5,6,4,8,7,3,10,9,11,2/rA:13nCOCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.62104 |
Area: | 353.074 |
Solvation: | -3.20581 |
Coulombic: | -28.8933 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.2 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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