5-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]-2-chlorobenzoic acid

Formula:C18H9N4O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]-2-chlorobenzoic acid is a drug-like molecule.

MolName	5-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]-2-chlorobenzoic acid
MolecularFormula	C18H9N4O3Cl
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1)=C(C#N)C#N
InChI	InChI=1S/C18H9ClN4O3/c19-15-3-1-10(6-14(15)18(24)25)16-4-2-13(26-16)5-11(7-20)17(23)12(8-21)9-22/h1-6H,23H2,(H,24,25)
InChIK	BJBQCYUBRNZWKG-UHFFFAOYSA-N
TotalMolweight	364.747
Molweight	364.747
MonoisotopicMass	364.036318
CLogP	1.0951
CLogS	-5.744
H Acceptors	7
H Donors	2
TotalSurfaceArea	283.51
Relative PSA	0.33932
PolarSurfaceArea	147.83
Druglikeness	-7.3646
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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