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Chemical ID: 4084805
Chemical ID:
4084805
Name [?]:
2-(4,5,6,7-tetrahydroindol-1-yl)ethyl aminoformate
SMILES [?]:
c1cn(c2c1CCCC2)CCOC(=O)N
InChi [?]:
InChI=1/C11H16N2O2/c12-11(14)15-8-7-13-6-5-9-3-1-2-4-10(9)13/h5-6H,1-4,7-8H2,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:7,8,6,9,1,2,10,11,5,4,13,15,3,14,12/rA:15nCCNCCCCCCCCOCON/rB:d1;s2;s3;s1d4;s5;s6;s7;s4s8;s3;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03157 |
Area: | 393.427 |
Solvation: | -1.8041 |
Coulombic: | -43.163 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.03 |
LogP (Chemaxon): | 1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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