Chemical ID: 6655408

Cc1ccccc1C=CC(=O)c2ccccc2N(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue