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Chemical ID: 6622233
Chemical ID:
6622233
Name [?]:
2-(3-chlorophenyl)-2-methylamino-cyclohexan-1-one
SMILES [?]:
CNC1(CCCCC1=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C13H16ClNO/c1-15-13(8-3-2-7-12(13)16)10-5-4-6-11(14)9-10/h4-6,9,15H,2-3,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,12,11,13,7,4,15,10,14,8,3,16,2,9/rA:16cCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s3;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.81598 |
Area: | 400.328 |
Solvation: | -2.19222 |
Coulombic: | -18.6927 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.725 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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