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Chemical ID: 4732952
Chemical ID:
4732952
Name [?]:
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-prop-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)C=Cc2ccccc2Cl
InChi [?]:
InChI=1/C17H15ClO/c1-12-7-9-15(13(2)11-12)17(19)10-8-14-5-3-4-6-16(14)18/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,15,16,14,17,3,12,4,11,7,2,6,13,5,18,9,19,10/rA:19nCCCCCCCCCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15ClO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58095 |
Area: | 453.13 |
Solvation: | -1.74729 |
Coulombic: | -11.9898 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.753 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.34 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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