2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide

Formula:C14H15N5OS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide is a drug-like molecule.

MolName2-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide
MolecularFormulaC14H15N5OS
SmilesNNC(c1csc(N/N=C(/CCC2)\c3c2cccc3)n1)=O
InChIInChI=1S/C14H15N5OS/c15-17-13(20)12-8-21-14(16-12)19-18-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8H,3,5,7,15H2,(H,16,19)(H,17,20)
InChIKMQJYBRJLOFKYBO-UHFFFAOYSA-N
TotalMolweight301.373
Molweight301.373
MonoisotopicMass301.09973
CLogP3.5161
CLogS-4.221
H Acceptors6
H Donors3
TotalSurfaceArea227.66
Relative PSA0.4132
PolarSurfaceArea120.64
Druglikeness-4.3564
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionshydrazine
Shape Index0.61905
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms4
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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