(Z)-1-[5-(azepan-1-yl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C13H17N5O Mutagenic:high Tumorigenic:high Reproductive Effective:high (Z)-1-[5-(azepan-1-yl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-[5-(azepan-1-yl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C13H17N5O
Smiles	C(CCC1)CCN1c1ccc(/C=N\n2cnnc2)o1
InChI	InChI=1S/C13H17N5O/c1-2-4-8-17(7-3-1)13-6-5-12(19-13)9-16-18-10-14-15-11-18/h5-6,9-11H,1-4,7-8H2
InChIK	UGYHFDMGIMXKKV-UHFFFAOYSA-N
TotalMolweight	259.312
Molweight	259.312
MonoisotopicMass	259.14331
CLogP	1.9434
CLogS	-5.779
H Acceptors	6
TotalSurfaceArea	213.55
Relative PSA	0.27151
PolarSurfaceArea	59.45
Druglikeness	3.1501
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Symmetricatoms	5
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-[5-(azepan-1-yl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-(azepan-1-yl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

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