(E)-N-(azepan-1-yl)-2-chloro-1-phenylethanimine

Formula:C14H19N2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-(azepan-1-yl)-2-chloro-1-phenylethanimine is a drug-like molecule.

MolName	(E)-N-(azepan-1-yl)-2-chloro-1-phenylethanimine
MolecularFormula	C14H19N2Cl
Smiles	ClC/C(/c1ccccc1)=N/N1CCCCCC1
InChI	InChI=1S/C14H19ClN2/c15-12-14(13-8-4-3-5-9-13)16-17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2
InChIK	JUAOGNZTVXFKTO-UHFFFAOYSA-N
TotalMolweight	250.772
Molweight	250.772
MonoisotopicMass	250.123675
CLogP	3.1647
CLogS	-3.751
H Acceptors	2
TotalSurfaceArea	204.77
Relative PSA	0.073546
PolarSurfaceArea	15.6
Druglikeness	-1.0017
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	5
StereoCon

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