Chemical ID: 4119297

COc1ccc(cc1)OCC(CN)O
Chemical ID:
4119297
Name [?]:
1-amino-3-(4-methoxyphenoxy)-propan-2-ol
SMILES [?]:
COc1ccc(cc1)OCC(CN)O
InChi [?]:
InChI=1/C10H15NO3/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,12H,6-7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,12,10,11,3,6,13,14,2,9/E:(2,3)(4,5)/rA:14cCOCCCCCCOCCCNO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:4.33353
Area:384.998
Solvation:-5.29143
Coulombic:-42.6989
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:197.231
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.4
LogP (Chemaxon):0.38

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