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Chemical ID: 6143458
Chemical ID:
6143458
Name [?]:
None
SMILES [?]:
CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4cc(c(c(c4F)F)F)F
InChi [?]:
InChI=1/C20H12F4N2O2/c1-2-26-14-7-6-13(9-4-3-5-10(15(9)14)20(26)28)25-19(27)11-8-12(21)17(23)18(24)16(11)22/h3-8H,2H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,5,20,8,10,19,21,7,4,9,24,22,23,17,14,28,25,27,26,16,3,18,15/rA:28nCCNCCCCCCCCCCCONCOCCCCCCFFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3s10;d14;s7;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s23;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12F4N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10781 |
Area: | 535.446 |
Solvation: | -7.27834 |
Coulombic: | -47.976 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 388.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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