100 16 3 | Cheminformatics

Hydrazine, (4-nitrophenyl)-

Formula:C6H7N3O2 CAS:100-16-3

PropertyValue
Casrn100-16-3
MolNameHydrazine, (4-nitrophenyl)-
MolecularFormulaC6H7N3O2
SmilesNNc(cc1)ccc1[N+]([O-])=O
InChIInChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
InChIKKMVPXBDOWDXXEN-UHFFFAOYSA-N
CanonicalSyTyLFyaf3d44323d8974aa
TotalMolweight153.141
Molweight153.141
MonoisotopicMass153.053827
CLogP0.7005
CLogS-1.87
H Acceptors5
H Donors2
TotalSurfaceArea116.91
Relative PSA0.48884
PolarSurfaceArea83.87
Druglikeness-9.8627
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; hydrazine
Shape Index0.72727
Molecula Flexibility0.41685
Molecular Complexity0.61821
Fragments1
Non HAtoms11
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms2
Symmetricatoms2
AcidicOxygens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000-87-9nonenonenoneC7H1296.1723-2.6557
100-21-0highnonehighC8H6O4166.132-1.8442
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
100004-95-3nonenonenoneC13H11NO3229.234-1.3547
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000-28-8nonenonenoneC6H3OF11300.067-44.343
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000018-39-2highhighlowC13H20N2O2S268.381.9315
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000068-23-4nonelownoneC14H18NO5B291.11-44.603
1000018-07-4nonenonenoneC14H13N3O239.2771.9531
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-71-0nonenonenoneC7H9N107.155-2.2725
100-92-5nonenonenoneC11H17N163.2631.1672
100-69-6nonenonenoneC7H7N105.14-4.4598
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
100-10-7nonehighhighC9H11NO149.192-1.8715
100-89-0nonenonelowC18H36O6B2370.1-16.157
10001-52-2highhighnoneC11H10N6O3S306.3056.7202
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100009-99-2lowhighnoneC21H25NO4355.4332.9337
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-18-5nonenonenoneC12H18162.275-2.5088
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-64-1highhighnoneC6H11NO113.159-6.4182
1000-84-6nonenonehighC4H9NO87.1215-6.3779
100-76-5nonenonehighC7H13N111.1873.5517
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000-41-5nonenonelowC10H18O154.252-9.05
100-26-5nonenonenoneC7H5NO4167.12-1.5746
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-96-9highnonenoneC7H10N2O138.169-1.7412
100008-36-4nonenonenoneC17H22O2258.36-5.6379
1000-91-5nonenonehighC5H14OSi118.251-35.679
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000269-66-8nonenonenoneC12H20N4220.3190.5423
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
10001-13-5nonenonehighC12H22N2O210.323.9217
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994