Chemical ID: 6397157

Cc1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)O
Chemical ID:
6397157
Name [?]:
4-[4-(4-methylphenoxy)phenyl]amino-4-oxo-butanoic acid
SMILES [?]:
Cc1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C17H17NO4/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)18-16(19)10-11-17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,11,13,4,6,10,14,18,19,2,12,5,9,16,20,15,17,21,22,8/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:22nCCCCCCCOCCCCCCNCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.0218
Area:514.283
Solvation:-3.83526
Coulombic:-53.1406
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):3.06

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