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Chemical ID: 4733923
Chemical ID:
4733923
Name [?]:
3-(3-chlorophenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H13ClO/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(17)11-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,3,7,11,4,6,10,17,2,12,5,16,8,18,9/E:(5,6)(8,9)/rA:18nCCCCCCCCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.296 |
Area: | 449.325 |
Solvation: | -1.93712 |
Coulombic: | -11.8168 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.727 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.91 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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