Chemical ID: 5759605

CC(C)(C)c1ccc(cc1)C(=O)C=Cc2ccc(cc2Cl)Cl
Chemical ID:
5759605
Name [?]:
3-(2,4-dichlorophenyl)-1-(4-tert-butylphenyl)-prop-2-en-1-one
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)C=Cc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C19H18Cl2O/c1-19(2,3)15-8-4-14(5-9-15)18(22)11-7-13-6-10-16(20)12-17(13)21/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,16,14,6,10,17,13,19,15,8,5,18,20,11,2,22,21,12/E:(1,2,3)(4,5)(8,9)/rA:22nCCCCCCCCCCCOCCCCCCCCClCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.6562
Area:536.721
Solvation:-1.76184
Coulombic:-13.0003
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:333.251
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.91
LogP (Chemaxon):6.68

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Descriptor Annotations

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