2-[4-[(Z)-inden-1-ylidenemethyl]phenyl]guanidine

Formula:C17H15N3 Mutagenic:high Tumorigenic:low Reproductive Effective:high 2-[4-[(Z)-inden-1-ylidenemethyl]phenyl]guanidine is a drug-like molecule.

MolName2-[4-[(Z)-inden-1-ylidenemethyl]phenyl]guanidine
MolecularFormulaC17H15N3
SmilesNC(N)=Nc1ccc(/C=C(/C=C2)\c3c2cccc3)cc1
InChIInChI=1S/C17H15N3/c18-17(19)20-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,(H4,18,19,20)
InChIKBOGIJBDMOQJRFY-UHFFFAOYSA-N
TotalMolweight261.327
Molweight261.327
MonoisotopicMass261.126597
CLogP2.2689
CLogS-4.335
H Acceptors3
H Donors2
TotalSurfaceArea210.74
Relative PSA0.19953
PolarSurfaceArea64.4
Druglikeness0.0043356
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.65
Fragments1
Non HAtoms20
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms3
BasicNitrogens1
StereoCon

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