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C23H27N5O | Cheminformatics

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

Molecular Formula : C23H27N5O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C23H27N5O

Smiles : Nc(cccc1)c1C(N/N=C(/C(C1)C2)\C3(Cc4ccccc4)CN2CCN1C3)=O

InChI : InChI=1S/C23H27N5O/c24-20-9-5-4-8-19(20)22(29)26-25-21-18-13-27-10-11-28(14-18)16-23(21,15-27)12-17-6-2-1-3-7-17/h1-9,18H,10-16,24H2,(H,26,29)

InChIK : IBPSTAAVVMESRQ-UHFFFAOYSA-N

TotalMolweight : 389.501

Molweight : 389.501

MonoisotopicMass : 389.22156

CLogP : 2.5458

CLogS : -3.019

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 293.05

Relative PSA : 0.19922

PolarSurfaceArea : 73.96

Druglikeness : 6.2104

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.48276

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 6

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 11

Symmetricatoms : 6

Amines : 3

AlkylAmines : 2

Aromatic Amines : 1

BasicNitrogens : 2

StereoCon :

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