(Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C12H10N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C12H10N4O
Smiles	C#CCOc1cc(/C=N\n2cnnc2)ccc1
InChI	InChI=1S/C12H10N4O/c1-2-6-17-12-5-3-4-11(7-12)8-15-16-9-13-14-10-16/h1,3-5,7-10H,6H2
InChIK	SSNBZIBNYNHUPW-UHFFFAOYSA-N
TotalMolweight	226.238
Molweight	226.238
MonoisotopicMass	226.085461
CLogP	1.1855
CLogS	-4.952
H Acceptors	5
TotalSurfaceArea	192.07
Relative PSA	0.26199
PolarSurfaceArea	52.3
Druglikeness	3.0648
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

Request More Details | (Z)-1-(3-prop-2-ynoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments