Chemical ID: 7080175

CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
Chemical ID:
7080175
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C22H21NO6/c1-3-28-17-12-13(8-9-15(17)24)19-18-20(25)14-6-4-5-7-16(14)29-21(18)22(26)23(19)10-11-27-2/h4-9,12,19,24H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,17,18,16,19,7,8,26,27,5,6,15,9,20,4,12,11,13,22,23,25,10,14,24,28,3,21/rA:29cCCOCCCCCCOCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO6
All Atoms:50
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.57602
Area:600.526
Solvation:-6.43713
Coulombic:-66.1714
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.405
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):2.3

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