General Information of the Compound
Compound ID
CP0755214
Compound Name
FERB-033
    Show/Hide
Structure
Formula
C13H9ClFNO3
Molecular Weight
281.67
Canonical SMILES
O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
    Show/Hide
InChI
InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
    Show/Hide
InChIKey
LRRMQNGSYOUANY-OMCISZLKSA-N
Physicochemical Property
logP
3.3654
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
73.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 135931707
SID: 57415185
ChEMBL ID
CHEMBL509051