2,6-bis(azepan-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine

Formula:C23H31N7O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6-bis(azepan-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine is not a drug-like molecule.

MolName	2,6-bis(azepan-1-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyrimidin-4-amine
MolecularFormula	C23H31N7O2
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)c2)cc1)=O
InChI	InChI=1S/C23H31N7O2/c31-30(32)20-11-9-19(10-12-20)18-24-27-21-17-22(28-13-5-1-2-6-14-28)26-23(25-21)29-15-7-3-4-8-16-29/h9-12,17-18H,1-8,13-16H2,(H,25,26,27)
InChIK	QIYKSACABRUYDC-UHFFFAOYSA-N
TotalMolweight	437.546
Molweight	437.546
MonoisotopicMass	437.253923
CLogP	5.4376
CLogS	-6.45
H Acceptors	9
H Donors	1
TotalSurfaceArea	349.15
Relative PSA	0.23609
PolarSurfaceArea	102.47
Druglikeness	-5.04
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	8
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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