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Chemical ID: 4747493
Chemical ID:
4747493
Name [?]:
1-[5-(4-chlorophenyl)imidazol-1-yl]piperidine
SMILES [?]:
c1cc(ccc1c2cncn2N3CCCCC3)Cl
InChi [?]:
InChI=1/C14H16ClN3/c15-13-6-4-12(5-7-13)14-10-16-11-18(14)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,5,2,4,13,17,8,10,6,3,7,18,9,12,11/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCCNCNNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClN3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14803 |
Area: | 438.986 |
Solvation: | -1.82661 |
Coulombic: | -12.4947 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.75 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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