Chemical ID: 6049264

COc1cccc(c1)CC(=N)N
Chemical ID:
6049264
Name [?]:
2-(3-methoxyphenyl)acetamidine
SMILES [?]:
COc1cccc(c1)CC(=N)N
InChi [?]:
InChI=1/C9H12N2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,9,7,3,10,11,12,2/E:(10,11)/rA:12nCOCCCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.54861
Area:335.551
Solvation:-2.84017
Coulombic:-34.8911
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:164.204
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):0.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue