Chemical ID: 6707248

Cn1c2ccccc2nc(c1=O)Cc3ccc(c(c3)F)F
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

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Descriptor Annotations

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