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Chemical ID: 4298149
Chemical ID:
4298149
Name [?]:
1-(3-aminophenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C=CC(=O)c2cccc(c2)N
InChi [?]:
InChI=1/C16H15NO2/c1-19-15-8-5-12(6-9-15)7-10-16(18)13-3-2-4-14(17)11-13/h2-11H,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,5,7,9,4,8,10,18,6,13,17,3,11,19,12,2/E:(5,6)(8,9)/rA:19nCOCCCCCCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.59899 |
Area: | 446.693 |
Solvation: | -3.56835 |
Coulombic: | -33.4581 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.296 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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