2-[5-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]furan-2-yl]benzoic acid

Formula:C20H15N5O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-[5-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]furan-2-yl]benzoic acid
MolecularFormula	C20H15N5O4
Smiles	Nc(n(CCO)nc1/C(/C#N)=C/c2ccc(-c(cccc3)c3C(O)=O)o2)c1C#N
InChI	InChI=1S/C20H15N5O4/c21-10-12(18-16(11-22)19(23)25(24-18)7-8-26)9-13-5-6-17(29-13)14-3-1-2-4-15(14)20(27)28/h1-6,9,26H,7-8,23H2,(H,27,28)
InChIK	VJKYHFWVNCVWJA-UHFFFAOYSA-N
TotalMolweight	389.37
Molweight	389.37
MonoisotopicMass	389.112405
CLogP	0.7119
CLogS	-4.765
H Acceptors	9
H Donors	3
TotalSurfaceArea	305.05
Relative PSA	0.37233
PolarSurfaceArea	162.09
Druglikeness	0.21627
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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