Chemical ID: 4733917

Cc1ccccc1C(=O)C=Cc2c(cccc2Cl)Cl
Chemical ID:
4733917
Name [?]:
3-(2,6-dichlorophenyl)-1-(o-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccccc1C(=O)C=Cc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C16H12Cl2O/c1-11-5-2-3-6-12(11)16(19)10-9-13-14(17)7-4-8-15(13)18/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,15,3,6,14,16,11,10,2,7,12,13,17,8,19,18,9/E:(7,8)(14,15)(17,18)/rA:19nCCCCCCCCOCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.63663
Area:451.984
Solvation:-1.66298
Coulombic:-12.5041
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:291.171
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.53
LogP (Chemaxon):5.52

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