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Chemical ID: 7402636
Chemical ID:
7402636
Name [?]:
N-(2-fluorophenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3)F
InChi [?]:
InChI=1/C16H15FN2O3/c17-10-4-1-2-5-11(10)19-16(22)9-8-14(21)18-12-6-3-7-13(20)15(9)12/h1-2,4-5,9H,3,6-8H2,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:2,1,20,3,6,21,19,11,10,4,5,15,17,12,16,8,22,14,7,18,13,9/rA:22cCCCCCCNCOCCCONCCCOCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s10d15;s16;d17;s17;s19;s15s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15FN2O3 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.70159 |
Area: | 456.119 |
Solvation: | -4.70139 |
Coulombic: | -49.312 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.3 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.08 |
LogP (Chemaxon): | -0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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