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Chemical ID: 4139142
Chemical ID:
4139142
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc3c(c2)C(=O)N4CC(CC4C(=O)N3)O
InChi [?]:
InChI=1/C19H15F3N2O3/c20-19(21,22)12-3-1-2-10(6-12)11-4-5-15-14(7-11)18(27)24-9-13(25)8-16(24)17(26)23-15/h1-7,13,16,25H,8-9H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,4,16,22,20,3,11,5,21,15,14,23,24,17,7,8,9,10,26,19,27,25,18/E:(20,21,22)/rA:27cCCCCCCCFFFCCCCCCCONCCCCCONO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s19s22;s23;d24;s14s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15F3N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.81908 |
Area: | 530.314 |
Solvation: | -4.43877 |
Coulombic: | -74.488 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 376.329 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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