General Information of the Compound
Compound ID
CP0395509
Compound Name
CHEBI:48202
    Show/Hide
Structure
Formula
C16H14O6
Molecular Weight
302.282
Canonical SMILES
C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O
    Show/Hide
InChI
InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
    Show/Hide
InChIKey
ZCJHPTKRISJQTN-JGVFFNPUSA-N
CAS
52934-83-5
Physicochemical Property
logP
1.7199
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
100.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 442757
SID: 15370372
ChEMBL ID
CHEMBL2106789