Chemical ID: 4123157

c1cc(oc1)C(=O)NC(Cc2ccc(cc2)O)C(=O)O
Chemical ID:
4123157
Name [?]:
2-(2-furylcarbonylamino)-3-(4-hydroxyphenyl)-propanoic acid
SMILES [?]:
c1cc(oc1)C(=O)NC(Cc2ccc(cc2)O)C(=O)O
InChi [?]:
InChI=1/C14H13NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h1-7,11,16H,8H2,(H,15,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,12,16,13,15,5,10,11,14,9,3,6,18,8,17,7,19,20,4/E:(3,4)(5,6)(18,19)/rA:20cCCCOCCONCCCCCCCCOCOO/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.38271
Area:467.728
Solvation:-4.31049
Coulombic:-73.3107
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.257
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.07
LogP (Chemaxon):1.37

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