N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide

Formula:C19H16N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.

MolNameN-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
MolecularFormulaC19H16N6O3
SmilesO=C(Cn1nnc(-c2ccccc2)n1)N/N=C\C=C\c(cc1)cc2c1OCO2
InChIInChI=1S/C19H16N6O3/c26-18(12-25-23-19(22-24-25)15-6-2-1-3-7-15)21-20-10-4-5-14-8-9-16-17(11-14)28-13-27-16/h1-11H,12-13H2,(H,21,26)
InChIKRFTVPHAYQQVSAK-UHFFFAOYSA-N
TotalMolweight376.375
Molweight376.375
MonoisotopicMass376.128389
CLogP2.6426
CLogS-4.792
H Acceptors9
H Donors1
TotalSurfaceArea292.75
Relative PSA0.32721
PolarSurfaceArea103.52
Druglikeness0.91453
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.67857
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms2
Aromatic Nitrogens4
StereoCon

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