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Chemical ID: 7039283
Chemical ID:
7039283
Name [?]:
[4-[3-(4-chlorophenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H15ClO3/c23-19-11-6-16(7-12-19)8-15-21(24)17-9-13-20(14-10-17)26-22(25)18-4-2-1-3-5-18/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,19,12,14,22,24,11,15,18,20,13,4,23,10,16,7,26,17,8,9/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOOCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClO3 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4179 |
Area: | 610.519 |
Solvation: | -2.84503 |
Coulombic: | -32.6099 |
Bond Count [?]
All: | 28 |
Single: | 16 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.805 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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