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Chemical ID: 7039236
Chemical ID:
7039236
Name [?]:
[3-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] cyclohexanecarboxylate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)C3CCCCC3
InChi [?]:
InChI=1/C23H24O3/c1-17-10-13-19(14-11-17)22(24)15-12-18-6-5-9-21(16-18)26-23(25)20-7-3-2-4-8-20/h5-6,9-16,20H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,14,13,22,26,15,3,7,11,4,6,10,17,2,12,5,21,16,8,19,9,20,18/E:(3,4)(7,8)(10,11)(13,14)/rA:26nCCCCCCCCOCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O3 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1146 |
Area: | 599.395 |
Solvation: | -2.87032 |
Coulombic: | -30.1834 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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