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Chemical ID: 6707248
Chemical ID:
6707248
Name [?]:
3-[(3,4-difluorophenyl)methyl]-1-methyl-quinoxalin-2-one
SMILES [?]:
Cn1c2ccccc2nc(c1=O)Cc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C16H12F2N2O/c1-20-15-5-3-2-4-13(15)19-14(16(20)21)9-10-6-7-11(17)12(18)8-10/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,15,16,19,13,14,17,18,8,10,3,11,21,20,9,2,12/rA:21nCNCCCCCCNCCOCCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12F2N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.636 |
Area: | 445.605 |
Solvation: | -3.50412 |
Coulombic: | -31.7421 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 286.276 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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