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Chemical ID: 7095358
Chemical ID:
7095358
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(Nc3ccccc3N2)c4cc(cc(c4)F)F)C(=O)C1
InChi [?]:
InChI=1/C20H18F2N2O/c1-11-6-17-19(18(25)7-11)20(12-8-13(21)10-14(22)9-12)24-16-5-3-2-4-15(16)23-17/h2-5,8-11,20,23-24H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,25,16,20,18,2,15,17,19,13,8,4,23,5,6,22,21,14,7,24/E:(8,9)(13,14)(21,22)/rA:25cCCCCCCNCCCCCCNCCCCCCFFCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s6;s15;d16;s17;d18;d15s19;s19;s17;s5;d23;s2s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18F2N2O |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.76283 |
Area: | 490.775 |
Solvation: | -3.50653 |
Coulombic: | -38.5453 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 340.367 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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