3-amino-5-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile

Formula:C17H9N5OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-amino-5-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile is a drug-like molecule.

MolName	3-amino-5-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1H-pyrazole-4-carbonitrile
MolecularFormula	C17H9N5OCl2
Smiles	Nc1n[nH]c(/C(/C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C#N
InChI	InChI=1S/C17H9Cl2N5O/c18-11-3-9(4-12(19)6-11)15-2-1-13(25-15)5-10(7-20)16-14(8-21)17(22)24-23-16/h1-6H,(H3,22,23,24)
InChIK	GEHDKNPWXDGFSB-UHFFFAOYSA-N
TotalMolweight	370.198
Molweight	370.198
MonoisotopicMass	369.018414
CLogP	2.9408
CLogS	-6.532
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.29
Relative PSA	0.29272
PolarSurfaceArea	115.42
Druglikeness	-1.3043
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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