Chemical ID: 6049202

COc1cccc(c1)CC(=NO)N
Chemical ID:
6049202
Name [?]:
1-amino-2-(3-methoxyphenyl)-ethanone oxime
SMILES [?]:
COc1cccc(c1)CC(=NO)N
InChi [?]:
InChI=1/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,9,7,3,10,13,11,12,2/rA:13nCOCCCCCCCCNON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.70923
Area:352.373
Solvation:-3.10011
Coulombic:-37.1071
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:180.204
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.2
LogP (Chemaxon):0.69

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