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Chemical ID: 4123157
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
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Experimental Annotations
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Descriptor Annotations
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