[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]imino-iminoazanium

Formula:C22H22N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]imino-iminoazanium is a drug-like molecule.

MolName	[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl]imino-iminoazanium
MolecularFormula	C22H22N5O
Smiles	N=[N+]=NCC(N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1)=O
InChI	InChI=1S/C22H22N5O/c23-26-24-15-20(28)27-22(17-10-5-2-6-11-17)19-13-7-12-18(21(19)25-27)14-16-8-3-1-4-9-16/h1-6,8-11,14,19,22-23H,7,12-13,15H2/q+1
InChIK	FLQXSPGRVQQHFF-UHFFFAOYSA-N
TotalMolweight	372.451
Molweight	372.451
MonoisotopicMass	372.182435
CLogP	3.9752
CLogS	-4.226
H Acceptors	6
H Donors	1
TotalSurfaceArea	282.15
Relative PSA	0.19568
PolarSurfaceArea	68.88
Druglikeness	0.36549
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
StereoCon	unknown chirality

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