ChemDB: Chemical Search
Download
Chemical ID: 4177343
Chemical ID:
4177343
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C18H18N2/c1-12-5-4-6-13(11-12)17-18-15(9-10-19-17)14-7-2-3-8-16(14)20-18/h2-8,11,17,19-20H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,4,3,5,12,15,18,19,7,2,6,11,10,16,8,9,20,17/rA:20cCCCCCCCCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.52215 |
Area: | 446.369 |
Solvation: | -1.63707 |
Coulombic: | -22.302 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.47 |
LogP (Chemaxon): | 4.03 |
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 |
---|