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Chemical ID: 5100581
Chemical ID:
5100581
Name [?]:
N-cycloheptyl-3-oxo-butanamide
SMILES [?]:
CC(=O)CC(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C11H19NO2/c1-9(13)8-11(14)12-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,9,14,4,2,8,5,7,3,6/E:(2,3)(4,5)(6,7)/rA:14nCCOCCONCCCCCCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.36218 |
Area: | 379.564 |
Solvation: | -4.12692 |
Coulombic: | -24.6553 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.58 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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