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Chemical ID: 4909084
Chemical ID:
4909084
Name [?]:
[2-(carbamoyloxymethyl)-2-methyl-pentyl] butylaminoformate
SMILES [?]:
CCCCNC(=O)OCC(C)(CCC)COC(=O)N
InChi [?]:
InChI=1/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,14,11,2,13,3,12,4,15,9,17,6,10,19,5,18,7,16,8/rA:19cCCCCNCOOCCCCCCCOCON/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s10;s12;s13;s10;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7453 |
Area: | 526.731 |
Solvation: | -2.423 |
Coulombic: | -72.378 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 274.357 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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