2,4-bis[(E)-2-phenylethenyl]benzene-1,3,5-triamine

Formula:C22H21N3 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2,4-bis[(E)-2-phenylethenyl]benzene-1,3,5-triamine is a drug-like molecule.

MolName	2,4-bis[(E)-2-phenylethenyl]benzene-1,3,5-triamine
MolecularFormula	C22H21N3
Smiles	Nc1c(/C=C/c2ccccc2)c(N)c(/C=C/c2ccccc2)c(N)c1
InChI	InChI=1S/C22H21N3/c23-20-15-21(24)19(14-12-17-9-5-2-6-10-17)22(25)18(20)13-11-16-7-3-1-4-8-16/h1-15H,23-25H2
InChIK	NYTACRUTGWIIQX-UHFFFAOYSA-N
TotalMolweight	327.43
Molweight	327.43
MonoisotopicMass	327.173547
CLogP	4.0417
CLogS	-6.116
H Acceptors	3
H Donors	3
TotalSurfaceArea	271.34
Relative PSA	0.16883
PolarSurfaceArea	78.06
Druglikeness	-1.4351
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions	1,3-diamino-aryl
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	13
Amines	3
Aromatic Amines	3
StereoCon

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