4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine

Formula:C22H20N2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine is a drug-like molecule.

MolName	4,6-bis[(E)-2-phenylethenyl]benzene-1,3-diamine
MolecularFormula	C22H20N2
Smiles	Nc1cc(N)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1
InChI	InChI=1S/C22H20N2/c23-21-16-22(24)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17/h1-16H,23-24H2
InChIK	VDEYGRXYOZLGFR-UHFFFAOYSA-N
TotalMolweight	312.415
Molweight	312.415
MonoisotopicMass	312.162648
CLogP	4.719
CLogS	-6.04
H Acceptors	2
H Donors	2
TotalSurfaceArea	262.82
Relative PSA	0.1162
PolarSurfaceArea	52.04
Druglikeness	-1.4351
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions	1,3-diamino-aryl
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	13
Amines	2
Aromatic Amines	2
StereoCon

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