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Chemical ID: 7166584
Chemical ID:
7166584
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCc3ccccc3N2C(=O)c4ccn(n4)C(F)F
InChi [?]:
InChI=1/C19H15F2N3O/c20-19(21)23-12-11-15(22-23)18(25)24-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)24/h1-8,11-12,19H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,11,2,12,6,10,3,13,7,8,19,20,5,9,18,4,14,16,23,24,25,22,21,15,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(20,21)/rA:25nCCCCCCCCCCCCCCNCOCCCNNCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s4s14;s15;d16;s16;s18;d19;s20;d18s21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F2N3O |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85336 |
Area: | 465.563 |
Solvation: | -3.78572 |
Coulombic: | -34.5131 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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