Chemical ID: 6781852

COc1ccc(cc1NC(=O)c2cc3c4ccccc4ccc3oc2=O)Cl
Chemical ID:
6781852
Name [?]:
None
SMILES [?]:
COc1ccc(cc1NC(=O)c2cc3c4ccccc4ccc3oc2=O)Cl
InChi [?]:
InChI=1/C21H14ClNO4/c1-26-19-9-7-13(22)10-17(19)23-20(24)16-11-15-14-5-3-2-4-12(14)6-8-18(15)27-21(16)25/h2-11H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,21,5,22,4,7,13,20,6,15,14,12,8,23,3,10,25,27,9,11,26,2,24/rA:27nCOCCCCCCNCOCCCCCCCCCCCCOCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;d14s22;s23;s12s24;d25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14ClNO4
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.63133
Area:569.967
Solvation:-4.61785
Coulombic:-48.2878
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.793
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.47
LogP (Chemaxon):4.44

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