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Chemical ID: 4696473
Chemical ID:
4696473
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)CN2c3cc(ccc3N4CCCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C19H16F4N2O/c20-14-4-1-3-12(9-14)11-25-17-10-13(19(21,22)23)6-7-15(17)24-8-2-5-16(24)18(25)26/h1,3-4,6-7,9-10,16H,2,5,8,11H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,19,13,14,17,4,11,8,3,12,5,15,20,10,21,23,7,24,25,26,16,9,22/E:(21,22,23)/rA:26cCCCCCCFCNCCCCCCNCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16F4N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.58224 |
Area: | 487.102 |
Solvation: | -3.59529 |
Coulombic: | -46.8817 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 364.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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