ChemDB: Chemical Search
Download
Chemical ID: 7513471
Chemical ID:
7513471
Name [?]:
3-[(3-bromo-4-fluoro-phenyl)methyl]-2-methyl-3,6-diazabicyclo[4.3.0]nonane
SMILES [?]:
CC1C2CCCN2CCN1Cc3ccc(c(c3)Br)F
InChi [?]:
InChI=1/C15H20BrFN2/c1-11-15-3-2-6-18(15)7-8-19(11)10-12-4-5-14(17)13(16)9-12/h4-5,9,11,15H,2-3,6-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,13,14,6,8,9,17,11,2,12,16,15,3,18,19,7,10/rA:19cCCCCCCNCCNCCCCCCCBrF/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20BrFN2 |
All Atoms: | 39 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.55021 |
Area: | 442.297 |
Solvation: | -2.5072 |
Coulombic: | -14.2965 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.38 |
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 |
---|