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Chemical ID: 5605647
Chemical ID:
5605647
Name [?]:
1-adamantylmethyl propylaminoformate
SMILES [?]:
CCCNC(=O)OCC12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C15H25NO2/c1-2-3-16-14(17)18-10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,15,17,14,10,18,8,13,11,16,5,9,4,6,7/E:(4,5,6)(7,8,9)(11,12,13)/rA:18nCCCNCOOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80982 |
Area: | 441.149 |
Solvation: | -1.2189 |
Coulombic: | -35.513 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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