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Chemical ID: 7514636
Chemical ID:
7514636
Name [?]:
[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone
SMILES [?]:
c1cc(c(c(c1)Cl)CN2CCC(CC2)C(=O)N3CCCC3)F
InChi [?]:
InChI=1/C17H22ClFN2O/c18-15-4-3-5-16(19)14(15)12-20-10-6-13(7-11-20)17(22)21-8-1-2-9-21/h3-5,13H,1-2,6-12H2
InChi Info:
AuxInfo=1/0/N:19,20,1,6,2,11,13,18,21,10,14,8,12,4,5,3,15,7,22,9,17,16/E:(1,2)(6,7)(8,9)(10,11)/rA:22nCCCCCCClCNCCCCCCONCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;s17s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22ClFN2O |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.42194 |
Area: | 501.891 |
Solvation: | -3.12534 |
Coulombic: | -25.4467 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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