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Chemical ID: 6358403
Chemical ID:
6358403
Name [?]:
3-chloro-N-cyclohexyl-propanamide
SMILES [?]:
C1CCC(CC1)NC(=O)CCCl
InChi [?]:
InChI=1/C9H16ClNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,11,4,8,12,7,9/E:(2,3)(4,5)/rA:12nCCCCCCNCOCCCl/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16ClNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71117 |
Area: | 369.607 |
Solvation: | -1.529 |
Coulombic: | -21.1457 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.682 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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