General Information of the Compound
Compound ID
CP0696842
Compound Name
(E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-carbaldehyde oxime
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Structure
Formula
C13H9ClFNO3
Molecular Weight
281.67
Canonical SMILES
O/N=C/c1c(O)ccc(-c2ccc(O)c(F)c2)c1Cl
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InChI
InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-6,17-19H/b16-6+
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InChIKey
CWBFECUIDZXHBY-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).

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PubChem ID
CID: 135566811
SID: 124365475
ChEMBL ID
CHEMBL1782958