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Chemical ID: 6655408
Chemical ID:
6655408
Name [?]:
1-(2-dimethylaminophenyl)-3-(o-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccccc1C=CC(=O)c2ccccc2N(C)C
InChi [?]:
InChI=1/C18H19NO/c1-14-8-4-5-9-15(14)12-13-18(20)16-10-6-7-11-17(16)19(2)3/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,4,5,14,15,3,6,13,16,8,9,2,7,12,17,10,18,11/E:(2,3)/rA:20nCCCCCCCCCCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0205 |
Area: | 454.881 |
Solvation: | -3.35152 |
Coulombic: | -15.6533 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 265.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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