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Chemical ID: 5773483
Chemical ID:
5773483
Name [?]:
(2,5-dichlorophenyl)-(3-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCN(C1)C(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C13H15Cl2NO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,13,14,5,11,7,2,12,10,15,8,17,16,6,9/rA:17cCCCCCNCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.27894 |
Area: | 440.706 |
Solvation: | -1.7387 |
Coulombic: | -18.8358 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.17 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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