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Chemical ID: 6631180
Chemical ID:
6631180
Name [?]:
N-(m-tolyl)-N'-[[2-(trifluoromethyl)phenyl]methyleneamino]oxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C17H14F3N3O2/c1-11-5-4-7-13(9-11)22-15(24)16(25)23-21-10-12-6-2-3-8-14(12)17(18,19)20/h2-10H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,18,19,4,3,17,5,20,7,15,2,16,6,21,9,11,22,23,24,25,14,8,13,10,12/E:(18,19,20)/rA:25nCCCCCCCNCOCONNCCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14F3N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90168 |
Area: | 527.346 |
Solvation: | -3.28197 |
Coulombic: | -63.5548 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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