N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine

Formula:C17H11N5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine is not a drug-like molecule.

MolName	N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine
MolecularFormula	C17H11N5Cl2
Smiles	Clc1cc(Cl)c(/C=N\Nc2ncnc3c2[nH]c2c3cccc2)cc1
InChI	InChI=1S/C17H11Cl2N5/c18-11-6-5-10(13(19)7-11)8-22-24-17-16-15(20-9-21-17)12-3-1-2-4-14(12)23-16/h1-9,23H,(H,20,21,24)
InChIK	OJKYKQQWOJRAIS-UHFFFAOYSA-N
TotalMolweight	356.215
Molweight	356.215
MonoisotopicMass	355.039149
CLogP	6.3199
CLogS	-6.063
H Acceptors	5
H Donors	2
TotalSurfaceArea	256.37
Relative PSA	0.22975
PolarSurfaceArea	65.96
Druglikeness	2.5311
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Aromatic Nitrogens	3
StereoCon

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