Chemical ID: 6707522

Cn1c2ccccc2nc(c1=O)Cc3ccccc3F
Chemical ID:
6707522
Name [?]:
3-[(2-fluorophenyl)methyl]-1-methyl-quinoxalin-2-one
SMILES [?]:
Cn1c2ccccc2nc(c1=O)Cc3ccccc3F
InChi [?]:
InChI=1/C16H13FN2O/c1-19-15-9-5-4-8-13(15)18-14(16(19)20)10-11-6-2-3-7-12(11)17/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,6,5,15,18,7,4,13,14,19,8,10,3,11,20,9,2,12/rA:20nCNCCCCCCNCCOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13FN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.2516
Area:436.473
Solvation:-2.66023
Coulombic:-28.5535
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.286
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):3.43

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