N-[(5Z)-5-[[4-[bis(3-iminopropyl)amino]phenyl]methylidene]-2-phenyl-4H-imidazol-3-yl]-4-chlorobenzamide

Formula:C29H29N6OCl Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(5Z)-5-[[4-[bis(3-iminopropyl)amino]phenyl]methylidene]-2-phenyl-4H-imidazol-3-yl]-4-chlorobenzamide is not a drug-like molecule.

MolName	N-[(5Z)-5-[[4-[bis(3-iminopropyl)amino]phenyl]methylidene]-2-phenyl-4H-imidazol-3-yl]-4-chlorobenzamide
MolecularFormula	C29H29N6OCl
Smiles	N=CCCN(CCC=N)c1ccc(/C=C(/C2)\N=C(c3ccccc3)N2NC(c(cc2)ccc2Cl)=O)cc1
InChI	InChI=1S/C29H29ClN6O/c30-25-12-10-24(11-13-25)29(37)34-36-21-26(33-28(36)23-6-2-1-3-7-23)20-22-8-14-27(15-9-22)35(18-4-16-31)19-5-17-32/h1-3,6-17,20,31-32H,4-5,18-19,21H2,(H,34,37)
InChIK	QIMMSMKMTBYYAQ-UHFFFAOYSA-N
TotalMolweight	513.043
Molweight	513.043
MonoisotopicMass	512.209136
CLogP	2.4893
CLogS	-4.673
H Acceptors	7
H Donors	3
TotalSurfaceArea	405.19
Relative PSA	0.1834
PolarSurfaceArea	95.64
Druglikeness	5.1312
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	10
Amines	1
Aromatic Amines	1
BasicNitrogens	3
StereoCon

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