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Chemical ID: 6618188
Chemical ID:
6618188
Name [?]:
N-[2-chloro-5-(5-chlorobenzooxazol-2-yl)-phenyl]-2,3,4,5,6-pentafluoro-benzamide
SMILES [?]:
c1cc(c(cc1c2nc3cc(ccc3o2)Cl)NC(=O)c4c(c(c(c(c4F)F)F)F)F)Cl
InChi [?]:
InChI=1/C20H7Cl2F5N2O2/c21-8-2-4-12-11(6-8)29-20(31-12)7-1-3-9(22)10(5-7)28-19(30)13-14(23)16(25)18(27)17(26)15(13)24/h1-6H,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,5,10,6,11,3,4,9,14,20,21,25,22,24,23,18,7,16,31,30,26,29,27,28,17,8,19,15/E:(14,15)(16,17)(23,24)(25,26)/rA:31nCCCCCCCNCCCCCCOClNCOCCCCCCFFFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s11;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s24;s23;s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H7Cl2F5N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08765 |
Area: | 622.47 |
Solvation: | -7.47411 |
Coulombic: | -48.2581 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 473.179 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.18 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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