Chemical ID: 5340017

Cc1ccc(cc1)Oc2ccc(cc2)OCC(=O)NC(C)C(=O)O
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

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Descriptor Annotations

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