ChemDB: Chemical Search
Download
Chemical ID: 7599330
Chemical ID:
7599330
Name [?]:
None
SMILES [?]:
c1cc2c(cc1F)c3c([nH]2)CCN(C3)CCc4ccncc4
InChi [?]:
InChI=1/C18H18FN3/c19-14-1-2-17-15(11-14)16-12-22(10-6-18(16)21-17)9-5-13-3-7-20-8-4-13/h1-4,7-8,11,21H,5-6,9-10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,18,22,16,11,19,21,15,12,5,14,17,6,4,8,3,9,7,20,10,13/E:(3,4)(7,8)/rA:22cCCCCCCFCCNCCNCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s9;s11;s12;s8s13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18FN3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.00507 |
Area: | 490.092 |
Solvation: | -3.24723 |
Coulombic: | -23.801 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.48 |
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 |
---|