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Chemical ID: 4672634
Chemical ID:
4672634
Name [?]:
3-(4-chlorophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,10,13,15,9,11,4,14,7,17,8/E:(2,3)(4,5)(6,7)(9,10)/rA:17nCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70321 |
Area: | 425.737 |
Solvation: | -1.94021 |
Coulombic: | -12.0543 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.7 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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