[(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate

Formula:C15H12N5O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:low [(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate is a drug-like molecule.

MolName[(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate
MolecularFormulaC15H12N5O3ClS
SmilesNc1nnc(CC(ON/N=C\c2ccc(-c3cccc(Cl)c3)o2)=O)s1
InChIInChI=1S/C15H12ClN5O3S/c16-10-3-1-2-9(6-10)12-5-4-11(23-12)8-18-21-24-14(22)7-13-19-20-15(17)25-13/h1-6,8,21H,7H2,(H2,17,20)
InChIKDKWDUZHAXHXDQC-UHFFFAOYSA-N
TotalMolweight377.811
Molweight377.811
MonoisotopicMass377.034937
CLogP3.6268
CLogS-5.215
H Acceptors8
H Donors2
TotalSurfaceArea277.6
Relative PSA0.42396
PolarSurfaceArea143.87
Druglikeness0.79277
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.68
Fragments1
Non HAtoms25
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms3
Aromatic Nitrogens2
StereoCon

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