(Z)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine

Formula:C13H16N2Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (Z)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine is a drug-like molecule.

MolName	(Z)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
MolecularFormula	C13H16N2Cl2
Smiles	Clc1cc(Cl)c(/C=N\N2CCCCCC2)cc1
InChI	InChI=1S/C13H16Cl2N2/c14-12-6-5-11(13(15)9-12)10-16-17-7-3-1-2-4-8-17/h5-6,9-10H,1-4,7-8H2
InChIK	WYMKISIWQJPKOC-UHFFFAOYSA-N
TotalMolweight	271.19
Molweight	271.19
MonoisotopicMass	270.069052
CLogP	4.2095
CLogS	-4.462
H Acceptors	2
TotalSurfaceArea	208.22
Relative PSA	0.072327
PolarSurfaceArea	15.6
Druglikeness	0.031389
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	3
StereoCon

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