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Chemical ID: 6924273
Chemical ID:
6924273
Name [?]:
N,N-bis(2-cyanoethyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C11H17N3O/c1-10(2)9-11(15)14(7-3-5-12)8-4-6-13/h10H,3-4,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,13,10,14,8,12,4,2,5,11,15,7,6/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:15nCCCCCONCCCNCCCN/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;t10;s7;s12;s13;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.776 |
Area: | 439.418 |
Solvation: | -3.20946 |
Coulombic: | -19.6412 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.48 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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