Chemical ID: 4261179

c1ccc2c(c1)CCCC2=NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
4261179
Name [?]:
2,4-dinitro-N-tetralin-1-ylideneamino-aniline
SMILES [?]:
c1ccc2c(c1)CCCC2=NNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C16H14N4O4/c21-19(22)12-8-9-15(16(10-12)20(23)24)18-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,18H,3,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,15,14,17,5,16,4,10,13,18,11,12,22,19,23,24,20,21/E:(21,22)(23,24)/CRV:19.5,20.5/rA:24nCCCCCCCCCCNNCCCCCCN+OO-N+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;w10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:0.309567
Area:497.85
Solvation:-12.1367
Coulombic:-31.362
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:326.307
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.91
LogP (Chemaxon):4.59

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