Chemical ID: 3968389

Cc1ccc2c(c1C)[nH]c(=O)c3c2oc(cc3=O)C(=O)OCCC(C)C
Chemical ID:
3968389
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1C)[nH]c(=O)c3c2oc(cc3=O)C(=O)OCCC(C)C
InChi [?]:
InChI=1/C20H21NO5/c1-10(2)7-8-25-20(24)15-9-14(22)16-18(26-15)13-6-5-11(3)12(4)17(13)21-19(16)23/h5-6,9-10H,7-8H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:25,26,1,8,3,4,23,22,16,24,2,7,5,17,15,12,6,13,10,19,9,18,11,20,21,14/E:(1,2)/rA:26nCCCCCCCCNCOCCOCCCOCOOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s5d12;s13;s14;d15;s12s16;d17;s15;d19;s19;s21;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2695
Area:570.74
Solvation:-3.99904
Coulombic:-56.6727
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.384
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.61
LogP (Chemaxon):3.84

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