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Chemical ID: 6891721
Chemical ID:
6891721
Name [?]:
(3-chloro-4-methyl-phenyl)carbamoylmethyl 3-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COC(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C17H16ClNO4/c1-11-6-7-13(9-15(11)18)19-16(20)10-23-17(21)12-4-3-5-14(8-12)22-2/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,18,17,19,3,4,21,6,12,2,16,5,20,7,10,14,8,9,11,15,22,13/rA:23nCCCCCCCClNCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO4 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37979 |
Area: | 550.235 |
Solvation: | -4.37608 |
Coulombic: | -48.3939 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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