General Information of the Compound
Compound ID
CP0696841
Compound Name
(E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde oxime
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Structure
Formula
C13H10ClNO3
Molecular Weight
263.68
Canonical SMILES
O/N=C/c1c(O)ccc(-c2ccc(O)cc2)c1Cl
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InChI
InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-7,16-18H/b15-7+
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InChIKey
OGRZJPRETQPCLH-VIZOYTHASA-N
Physicochemical Property
logP
3.2263
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
73.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 136000551
SID: 124365448
ChEMBL ID
CHEMBL1782957