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

Formula:C23H13N5OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-amino-3-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile is a drug-like molecule.

MolName	5-amino-3-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
MolecularFormula	C23H13N5OCl2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C#N
InChI	InChI=1S/C23H13Cl2N5O/c24-16-8-14(9-17(25)11-16)21-7-6-19(31-21)10-15(12-26)22-20(13-27)23(28)30(29-22)18-4-2-1-3-5-18/h1-11H,28H2
InChIK	IIMFAUFZUDSKCE-UHFFFAOYSA-N
TotalMolweight	446.296
Molweight	446.296
MonoisotopicMass	445.049714
CLogP	4.216
CLogS	-7.694
H Acceptors	6
H Donors	1
TotalSurfaceArea	337.68
Relative PSA	0.22015
PolarSurfaceArea	104.56
Druglikeness	-0.39771
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	5
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

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

Request More Details | 5-amino-3-[(Z)-1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments