Chemical ID: 7120799

Cc1cc(ccc1OC)C(CC(=O)[O-])[NH3+]
Chemical ID:
7120799
Name [?]:
3-azaniumyl-3-(4-methoxy-3-methyl-phenyl)-propanoate
SMILES [?]:
Cc1cc(ccc1OC)C(CC(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,5,6,3,11,2,4,10,7,12,15,13,14,8/E:(13,14)/rA:15cCCCCCCCOCCCCOO-N+/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;d12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:30
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-31.7943
Area:390.913
Solvation:-41.5671
Coulombic:-6.05869
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):-1.12

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