Chemical ID: 6663223

c1ccc2c(c1)cccc2C(=O)C=Cc3ccc(c(c3)Cl)Cl
Chemical ID:
6663223
Name [?]:
3-(3,4-dichlorophenyl)-1-(1-naphthyl)prop-2-en-1-one
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)C=Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H12Cl2O/c20-17-10-8-13(12-18(17)21)9-11-19(22)16-7-3-5-14-4-1-2-6-15(14)16/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,16,14,17,13,20,15,5,4,10,18,19,11,22,21,12/rA:22nCCCCCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12Cl2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5916
Area:502.498
Solvation:-1.97085
Coulombic:-13.1809
Bond Count [?]
All:24
Single:14
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.203
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.36
LogP (Chemaxon):6.05

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Descriptor Annotations

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