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C22H23N4OCl | Cheminformatics
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2-chloro-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide

Molecular Formula : C22H23N4OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-chloro-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide is a drug-like molecule.

MolName : 2-chloro-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide

MolecularFormula : C22H23N4OCl

Smiles : O=C(c(cccc1)c1Cl)N/N=C(/C(C1)CN(C2)CCN1C1)\C12c1ccccc1

InChI : InChI=1S/C22H23ClN4O/c23-19-9-5-4-8-18(19)21(28)25-24-20-16-12-26-10-11-27(13-16)15-22(20,14-26)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,25,28)

InChIK : YESUZPZCNQSHQT-UHFFFAOYSA-N

TotalMolweight : 394.905

Molweight : 394.905

MonoisotopicMass : 394.156038

CLogP : 3.3028

CLogS : -3.729

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 286.19

Relative PSA : 0.15063

PolarSurfaceArea : 47.94

Druglikeness : 6.227

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.46429

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 6

Amines : 2

AlkylAmines : 2

BasicNitrogens : 2

StereoCon :

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1 - 2-chloro-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide
2 - 2-chloro-N-[(Z)-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]benzamide
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