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Chemical ID: 6628105
Chemical ID:
6628105
Name [?]:
N'-(2-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H11ClF3N3O2/c17-12-7-3-4-8-13(12)22-14(24)15(25)23-21-9-10-5-1-2-6-11(10)16(18,19)20/h1-9H,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,16,7,5,4,20,15,12,10,22,21,23,24,25,8,14,9,13,11/E:(18,19,20)/rA:25nCCCCCCCNNCOCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s4;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClF3N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1705 |
Area: | 535.292 |
Solvation: | -3.21182 |
Coulombic: | -64.2681 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.725 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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