Chemical ID: 4122687

c1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)O
Chemical ID:
4122687
Name [?]:
4-oxo-4-(4-phenoxyphenyl)amino-butanoic acid
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C16H15NO4/c18-15(10-11-16(19)20)17-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,12,9,13,17,18,11,4,8,15,19,14,16,20,21,7/E:(2,3)(4,5)(6,7)(8,9)(19,20)/rA:21nCCCCCCOCCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.46387
Area:491.837
Solvation:-3.83205
Coulombic:-53.382
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.13
LogP (Chemaxon):2.59

Name Annotations

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Descriptor Annotations

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