(E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]prop-2-enoyl azide

Formula:C22H17N8O4Cl Mutagenic:high Tumorigenic:low Reproductive Effective:low (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]prop-2-enoyl azide is not a drug-like molecule.

MolName	(E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]prop-2-enoyl azide
MolecularFormula	C22H17N8O4Cl
Smiles	[N-]=[N+]=NC(/C(/NC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=C\c(cc1)ccc1N(CCC#N)CCC#N)=O
InChI	InChI=1S/C22H17ClN8O4/c23-19-8-7-17(31(34)35)14-18(19)21(32)27-20(22(33)28-29-26)13-15-3-5-16(6-4-15)30(11-1-9-24)12-2-10-25/h3-8,13-14H,1-2,11-12H2,(H,27,32)
InChIK	JKOCMRWIVQLHIH-UHFFFAOYSA-N
TotalMolweight	492.882
Molweight	492.882
MonoisotopicMass	492.106129
CLogP	2.7863
CLogS	-6.373
H Acceptors	12
H Donors	1
TotalSurfaceArea	383.18
Relative PSA	0.35498
PolarSurfaceArea	168.77
Druglikeness	-10.257
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]prop-2-enoyl azide | 2 - (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]prop-2-enoyl azide

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