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Chemical ID: 6664595
Chemical ID:
6664595
Name [?]:
cyclohexylideneamino butylaminoformate
SMILES [?]:
CCCCNC(=O)ON=C1CCCCC1
InChi [?]:
InChI=1/C11H20N2O2/c1-2-3-9-12-11(14)15-13-10-7-5-4-6-8-10/h2-9H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,12,14,11,15,4,10,6,5,9,7,8/E:(5,6)(7,8)/rA:15nCCCCNCOONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24135 |
Area: | 426.222 |
Solvation: | -1.41419 |
Coulombic: | -31.2169 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.62 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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