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Chemical ID: 6619306
Chemical ID:
6619306
Name [?]:
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-benzamide
SMILES [?]:
c1cc(c(cc1Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)O
InChi [?]:
InChI=1/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,12,16,5,13,15,6,11,4,3,8,21,17,7,22,23,24,18,19,20,10,25,9/E:(4,5)(7,8)(14,15)(17,18,19,20,21,22)/rA:25nCCCCCCClCONCCCCCCCFFFCFFFO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s13;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H8ClF6NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98013 |
Area: | 511.391 |
Solvation: | -4.80464 |
Coulombic: | -73.0119 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.673 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.49 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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