N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine

Formula:C22H13N4OCl3 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine is not a drug-like molecule.

MolName	N-[(E)-[6,8-dichloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
MolecularFormula	C22H13N4OCl3
Smiles	Clc(cc1)ccc1C(Oc(c1cc(Cl)c2)c2Cl)=C/C1=N\Nc1nc(cccc2)c2[nH]1
InChI	InChI=1S/C22H13Cl3N4O/c23-13-7-5-12(6-8-13)20-11-19(15-9-14(24)10-16(25)21(15)30-20)28-29-22-26-17-3-1-2-4-18(17)27-22/h1-11H,(H2,26,27,29)
InChIK	FSAUPOMFIRXTOL-UHFFFAOYSA-N
TotalMolweight	455.731
Molweight	455.731
MonoisotopicMass	454.015492
CLogP	8.4079
CLogS	-7.643
H Acceptors	5
H Donors	2
TotalSurfaceArea	317.61
Relative PSA	0.18239
PolarSurfaceArea	62.3
Druglikeness	2.4365
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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