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Chemical ID: 6151038
Chemical ID:
6151038
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=N3)NC(=O)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C19H11F3N2O/c20-19(21,22)13-7-1-6-12(10-13)18(25)24-17-14-8-2-4-11-5-3-9-15(23-17)16(11)14/h1-10H,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:18,1,5,2,4,17,19,10,6,21,3,16,20,9,7,8,11,14,22,23,24,25,12,13,15/E:(20,21,22)/rA:25nCCCCCCCCCCCNNCOCCCCCCCFFF/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11F3N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83841 |
Area: | 503.066 |
Solvation: | -3.73825 |
Coulombic: | -46.4328 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.299 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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