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C14H17N3OS | Cheminformatics
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(2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine

Molecular Formula : C14H17N3OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
(2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine is a drug-like molecule.

MolName : (2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine

MolecularFormula : C14H17N3OS

Smiles : NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3OCSC1

InChI : InChI=1S/C14H17N3OS/c15-11-7-19-8-18-17-6-5-10-9-3-1-2-4-12(9)16-13(10)14(11)17/h1-4,11,14,16H,5-8,15H2/t11?,14-/m1/s1

InChIK : SFAMFXNCPDEYGA-SBXXRYSUSA-N

TotalMolweight : 275.375

Molweight : 275.375

MonoisotopicMass : 275.109232

CLogP : 0.9207

CLogS : -3.211

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 196.78

Relative PSA : 0.30643

PolarSurfaceArea : 79.58

Druglikeness : 2.515

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.47368

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 5

Electronegative Atoms : 5

StereoCenters : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 10

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon : unknown chirality

Click to Load Molecule:
1 - (2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
2 - (2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
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