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Chemical ID: 5340017
Chemical ID:
5340017
Name [?]:
2-[2-[4-(4-methylphenoxy)phenoxy]acetyl]aminopropanoic acid
SMILES [?]:
Cc1ccc(cc1)Oc2ccc(cc2)OCC(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C18H19NO5/c1-12-3-5-15(6-4-12)24-16-9-7-14(8-10-16)23-11-17(20)19-13(2)18(21)22/h3-10,13H,11H2,1-2H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,4,6,11,13,10,14,16,2,20,12,5,9,17,22,19,18,23,24,15,8/E:(3,4)(5,6)(7,8)(9,10)(21,22)/rA:24cCCCCCCCOCCCCCCOCCONCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.5297 |
Area: | 556.369 |
Solvation: | -5.37954 |
Coulombic: | -63.3991 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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