Chemical ID: 6049100

c1cc(c(cc1CC(=NO)N)F)F
Chemical ID:
6049100
Name [?]:
1-amino-2-(3,4-difluorophenyl)-ethanone oxime
SMILES [?]:
c1cc(c(cc1CC(=NO)N)F)F
InChi [?]:
InChI=1/C8H8F2N2O/c9-6-2-1-5(3-7(6)10)4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,3,4,8,13,12,11,9,10/rA:13nCCCCCCCCNONFF/rB:s1;d2;s3;d4;d1s5;s6;s7;w8;s9;s8;s4;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8F2N2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.7244
Area:328.466
Solvation:-3.48724
Coulombic:-37.1358
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:186.159
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.6
LogP (Chemaxon):1.22

Name Annotations

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Descriptor Annotations

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