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Chemical ID: 5170692
Chemical ID:
5170692
Name [?]:
[2-(carbamoyloxymethyl)-2,3-dimethyl-pentyl] aminoformate
SMILES [?]:
CCC(C)C(C)(COC(=O)N)COC(=O)N
InChi [?]:
InChI=1/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,4,6,2,7,12,3,9,14,5,11,16,10,15,8,13/E:(5,6)(8,9)(11,12)(13,14)(15,16)/gE:(1,2)/rA:16cCCCCCCCOCONCOCON/rB:s1;s2;s3;s3;s5;s5;s7;s8;d9;s9;s5;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30426 |
Area: | 429.354 |
Solvation: | -2.42959 |
Coulombic: | -75.5438 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 232.277 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.21 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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