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540734 05 2 | Cheminformatics

Chemical : (1Z)-Phenyl-N,N'-di(propan-2-yl)-N-(trimethylsilyl)ethanimidamide

Casrn : 540734-05-2

MolName : (1Z)-Phenyl-N,N'-di(propan-2-yl)-N-(trimethylsilyl)ethanimidamide

MolecularFormula : C17H30N2Si

Smiles : CC(C)N(/C(/Cc1ccccc1)=N\C(C)C)[Si](C)(C)C

InChI : InChI=1S/C17H30N2Si/c1-14(2)18-17(13-16-11-9-8-10-12-16)19(15(3)4)20(5,6)7/h8-12,14-15H,13H2,1-7H3

InChIK : OTTHCQQVOLYYJG-UHFFFAOYSA-N

CanonicalSyTyLFy : 45e290f877552ea

TotalMolweight : 290.525

Molweight : 290.525

MonoisotopicMass : 290.217825

CLogP : 4.6845

CLogS : -3.435

H Acceptors : 2

TotalSurfaceArea : 244.61

Relative PSA : 0.061567

PolarSurfaceArea : 15.6

Druglikeness : -37.849

Mutagenic : none

Tumorigenic : low

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.45

Molecula Flexibility : 0.62369

Molecular Complexity : 0.64123

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 3

Electronegative Atoms : 2

Rotatable Bond : 5

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 10

Symmetricatoms : 6

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100-16-3lowhighnoneC6H7N3O2153.141-9.8627
100-54-9nonenonenoneC6H4N2104.112-6.0498
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907
1000-41-5nonenonelowC10H18O154.252-9.05
1000018-59-6nonenonelowC10H15O2BrS279.197-14.078
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
1000-91-5nonenonehighC5H14OSi118.251-35.679
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100021-05-4nonenonenoneC21H28O2312.4510.95307
100-44-7highhighnoneC7H7Cl126.586-2.365
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100-62-9lownonenoneC7H7N105.14-1.1924
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100020-83-5nonenonelowC7H11O3B153.972-20.814
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100008-36-4nonenonenoneC17H22O2258.36-5.6379
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000339-31-0nonenonehighC12H16NCl209.7190.65299
1000-36-8nonenonenoneC11H25O3P236.29-27.011
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-79-8nonelownoneC6H12O3132.158-9.8672
10001-51-1nonenonenoneC9H18N2O170.2555.9677
100-46-9nonenonenoneC7H9N107.155-2.0712
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-63-0highhighnoneC6H8N2108.144-4.3224
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
10002-37-6nonenonenoneC9H16N2O168.239-3.8085
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100008-89-7nonenonenoneC11H10N4O3246.225-1.8465
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-21-0highnonehighC8H6O4166.132-1.8442
100-09-4nonenonenoneC8H8O3152.149-1.597
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100020-95-9highnonelowC12H17OCl212.719-11.962
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
1000-28-8nonenonenoneC6H3OF11300.067-44.343
1000339-33-2nonenonenoneC10H11NClF199.6550.76
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-26-5nonenonenoneC7H5NO4167.12-1.5746
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412