Chemical ID: 4689223

c1cc(ccc1C=CC(=O)c2cc(ccc2Cl)Cl)Cl
Chemical ID:
4689223
Name [?]:
3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(ccc1C=CC(=O)c2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl3O/c16-11-4-1-10(2-5-11)3-8-15(19)13-9-12(17)6-7-14(13)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,5,7,2,4,14,15,8,12,6,3,13,11,16,9,19,18,17,10/E:(1,2)(4,5)/rA:19nCCCCCCCCCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.67004
Area:480.154
Solvation:-2.33381
Coulombic:-11.0769
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:311.589
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.71
LogP (Chemaxon):5.57

Name Annotations

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Descriptor Annotations

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