ChemDB: Chemical Search
Download
Chemical ID: 6427423
Chemical ID:
6427423
Name [?]:
N-cyclohexyl-N-methyl-4-nitro-aniline
SMILES [?]:
CN(c1ccc(cc1)[N+](=O)[O-])C2CCCCC2
InChi [?]:
InChI=1/C13H18N2O2/c1-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h7-11H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,4,8,5,7,12,3,6,2,9,10,11/E:(3,4)(5,6)(7,8)(9,10)(16,17)/CRV:15.5/rA:17cCNCCCCCCN+OO-CCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s2;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.33508 |
Area: | 421.893 |
Solvation: | -6.21225 |
Coulombic: | -19.3464 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.85 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|