Chemical ID: 7080235

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)CCOC
Chemical ID:
7080235
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)CCOC
InChi [?]:
InChI=1/C21H18ClNO4/c1-12-6-7-16-15(10-12)19(24)17-18(13-4-3-5-14(22)11-13)23(8-9-26-2)21(25)20(17)27-16/h3-7,10-11,18H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,18,20,3,4,24,25,7,22,2,17,21,6,5,10,16,8,11,13,23,15,9,14,26,12/rA:27cCCCCCCCCOCCOCONCCCCCCCClCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s15;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.4838
Area:581.143
Solvation:-4.04474
Coulombic:-44.1485
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.825
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):3.48

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