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Chemical ID: 7712748
Chemical ID:
7712748
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)N2CCN(CC2)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C18H20FN3O/c1-14-3-2-4-17(13-14)21-9-11-22(12-10-21)18(23)20-16-7-5-15(19)6-8-16/h2-8,13H,9-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,19,21,18,22,9,13,10,12,7,2,20,17,6,14,23,16,8,11,15/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCNCCNCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FN3O |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.28748 |
Area: | 507.867 |
Solvation: | -3.4092 |
Coulombic: | -40.7558 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.47 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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