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Chemical ID: 6707244

Chemical ID:

6707244

Name [?]:

3-[(4-fluorophenyl)methyl]-1-methyl-quinoxalin-2-one

SMILES [?]:

Cn1c2ccccc2nc(c1=O)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C16H13FN2O/c1-19-15-5-3-2-4-13(15)18-14(16(19)20)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,5,7,4,15,19,16,18,13,14,17,8,10,3,11,20,9,2,12/E:(6,7)(8,9)/rA:20nCNCCCCCCNCCOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s10;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃FN₂O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26219
Area:	438.577
Solvation:	-2.70223
Coulombic:	-28.4018

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

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value