Chemical ID: 5167517

c1cc2c(cc1[N+](=O)[O-])CCCC2
Chemical ID:
5167517
Name [?]:
2-nitrotetralin
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])CCCC2
InChi [?]:
InChI=1/C10H11NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChi Info:
AuxInfo=1/0/N:12,11,13,10,2,1,5,3,4,6,7,8,9/E:(12,13)/CRV:11.5/rA:13nCCCCCCN+OO-CCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s11;s3s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:2.61133
Area:335.383
Solvation:-5.77325
Coulombic:-13.4104
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.2
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):3.22

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