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Chemical ID: 6663223
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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