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Chemical ID: 4229531
Chemical ID:
4229531
Name [?]:
3-methyl-N-(2,4,5-trichlorophenyl)-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2ccccc2oc1C(=O)Nc3cc(c(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C16H10Cl3NO2/c1-8-9-4-2-3-5-14(9)22-15(8)16(21)20-13-7-11(18)10(17)6-12(13)19/h2-7H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,18,15,2,3,17,16,19,14,8,10,11,21,22,20,13,12,9/rA:22nCCCCCCCCOCCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.516 |
Area: | 525.65 |
Solvation: | -1.62525 |
Coulombic: | -33.2019 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 354.614 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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