N-[(E)-[1-(1-adamantyl)-2-phenylethylidene]amino]-2,4-dinitroaniline

Formula:C24H26N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[1-(1-adamantyl)-2-phenylethylidene]amino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(E)-[1-(1-adamantyl)-2-phenylethylidene]amino]-2,4-dinitroaniline
MolecularFormula	C24H26N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc1ccccc1)/C1(CC(C2)C3)CC3CC2C1)=O
InChI	InChI=1S/C24H26N4O4/c29-27(30)20-6-7-21(22(12-20)28(31)32)25-26-23(11-16-4-2-1-3-5-16)24-13-17-8-18(14-24)10-19(9-17)15-24/h1-7,12,17-19,25H,8-11,13-15H2
InChIK	PCAKPWYJEOQLPI-UHFFFAOYSA-N
TotalMolweight	434.494
Molweight	434.494
MonoisotopicMass	434.195406
CLogP	5.1224
CLogS	-6.325
H Acceptors	8
H Donors	1
TotalSurfaceArea	318.52
Relative PSA	0.26312
PolarSurfaceArea	116.03
Druglikeness	-3.6624
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	8
AcidicOxygens	2
StereoCon

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1 - N-[(E)-[1-(1-adamantyl)-2-phenylethylidene]amino]-2,4-dinitroaniline | 2 - N-[(E)-[1-(1-adamantyl)-2-phenylethylidene]amino]-2,4-dinitroaniline

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