Chemical ID: 4958235

Cc1c(c(n(n1)c2ccccc2)C)N=O
Chemical ID:
4958235
Name [?]:
3,5-dimethyl-4-nitroso-1-phenyl-pyrazole
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)N=O
InChi [?]:
InChI=1/C11H11N3O/c1-8-11(13-15)9(2)14(12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,10,9,11,8,12,2,4,7,3,6,14,5,15/E:(4,5)(6,7)/rA:15nCCCCNNCCCCCCCNO/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N3O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.83093
Area:373.062
Solvation:-1.49561
Coulombic:-7.61868
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.225
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.41
LogP (Chemaxon):1.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue