ChemDB: Chemical Search
Download
Chemical ID: 7512486
Chemical ID:
7512486
Name [?]:
N-methyl-N-[[5-(4-nitrophenyl)-2-furyl]methyl]butan-1-amine
SMILES [?]:
CCCCN(C)Cc1ccc(o1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H20N2O3/c1-3-4-11-17(2)12-15-9-10-16(21-15)13-5-7-14(8-6-13)18(19)20/h5-10H,3-4,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,18,15,17,9,10,4,7,13,16,8,11,5,19,20,21,12/E:(5,6)(7,8)(19,20)/CRV:18.5/rA:21cCCCCNCCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.52008 |
Area: | 520.925 |
Solvation: | -7.50304 |
Coulombic: | -25.5637 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.54 |
LogP (Chemaxon): | None |
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 |
---|