General Information of the Compound
Compound ID
CP0297513
Compound Name
(E)-2-(2-(furan-2-yl)vinyl)-8-hydroxyquinoline-7-carboxylic acid
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Structure
Formula
C16H11NO4
Molecular Weight
281.267
Canonical SMILES
OC(=O)c1ccc2ccc(\C=C\c3ccco3)nc2c1O
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InChI
InChI=1S/C16H11NO4/c18-15-13(16(19)20)8-4-10-3-5-11(17-14(10)15)6-7-12-2-1-9-21-12/h1-9,18H,(H,19,20)/b7-6+
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InChIKey
FFXMPJHREREBSJ-VOTSOKGWSA-N
Physicochemical Property
logP
3.402
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
83.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 6475554
SID: 15867600
ChEMBL ID
CHEMBL38420