Chemical ID: 5269135

COc1cc(cc(c1OC)OC)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
Chemical ID:
5269135
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
InChi [?]:
InChI=1/C25H21NO7/c1-29-18-11-14(12-19(30-2)23(18)31-3)21-20-22(27)16-8-4-5-9-17(16)33-24(20)25(28)26(21)13-15-7-6-10-32-15/h4-12,21H,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,19,20,31,30,18,21,32,4,6,28,5,29,17,22,3,7,14,13,15,8,24,25,27,16,26,2,11,9,33,23/E:(1,2)(11,12)(18,19)(29,30)/rA:33cCOCCCCCCOCOCCCCOCCCCCCOCCONCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21NO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:6.67688
Area:642.605
Solvation:-9.38825
Coulombic:-61.6758
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:447.437
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.17
LogP (Chemaxon):2.62

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