Chemical ID: 7700630

COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C(=O)OC
Chemical ID:
7700630
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C(=O)OC
InChi [?]:
InChI=1/C16H13ClO5/c1-20-14-9-11(15(18)21-2)5-8-13(14)22-16(19)10-3-6-12(17)7-4-10/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,13,17,6,14,16,7,4,12,5,15,8,3,19,10,18,20,11,2,21,9/E:(3,4)(6,7)/rA:22nCOCCCCCCOCOCCCCCCClCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClO5
All Atoms:35
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.62401
Area:524.969
Solvation:-3.50022
Coulombic:-48.4073
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.73
LogP (Chemaxon):None

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