2-N-[(Z)-3-phenylprop-2-enyl]benzene-1,2-diamine

Formula:C15H16N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-3-phenylprop-2-enyl]benzene-1,2-diamine is a drug-like molecule.

MolName2-N-[(Z)-3-phenylprop-2-enyl]benzene-1,2-diamine
MolecularFormulaC15H16N2
SmilesNc(cccc1)c1NC/C=C\c1ccccc1
InChIInChI=1S/C15H16N2/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12,16H2
InChIKUJTDSOLEQLKCHP-UHFFFAOYSA-N
TotalMolweight224.306
Molweight224.306
MonoisotopicMass224.131348
CLogP2.8086
CLogS-3.592
H Acceptors2
H Donors2
TotalSurfaceArea193.26
Relative PSA0.13831
PolarSurfaceArea38.05
Druglikeness-0.024538
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions1,2-diamino-aryl
Shape Index0.70588
Fragments1
Non HAtoms17
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
Amines2
Aromatic Amines2
StereoCon

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