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Chemical ID: 4336268
Chemical ID:
4336268
Name [?]:
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C18H18ClFN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,22,19,21,12,14,11,15,4,16,17,3,5,20,8,7,23,13,10,9/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCClCONCCNCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClFN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8497 |
Area: | 523.523 |
Solvation: | -3.23838 |
Coulombic: | -28.0295 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.799 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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