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Chemical ID: 3998181
Chemical ID:
3998181
Name [?]:
2-chloro-1-(4-methylpiperazin-1-yl)-ethanone
SMILES [?]:
CN1CCN(CC1)C(=O)CCl
InChi [?]:
InChI=1/C7H13ClN2O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,10,8,11,2,5,9/E:(2,3)(4,5)/rA:11nCNCCNCCCOCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13ClN2O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.6954 |
Area: | 333.892 |
Solvation: | -2.6519 |
Coulombic: | -19.8227 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 176.644 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -0.27 |
LogP (Chemaxon): | -0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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