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Chemical ID: 6565471
Chemical ID:
6565471
Name [?]:
(2,4,6-trichlorophenyl)carbamoylmethyl 2,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)OCC(=O)Nc2c(cc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl3NO3/c1-9-3-4-12(10(2)5-9)17(23)24-8-15(22)21-16-13(19)6-11(18)7-14(16)20/h3-7H,8H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,7,18,20,12,2,6,19,5,17,21,13,16,9,23,24,22,15,14,10,11/E:(6,7)(13,14)(19,20)/rA:24nCCCCCCCCCOOCCONCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl3NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4412 |
Area: | 582.787 |
Solvation: | -3.12849 |
Coulombic: | -42.1002 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.656 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.44 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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