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Chemical ID: 7092125
Chemical ID:
7092125
Name [?]:
1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)propan-1-amine
SMILES [?]:
CCC(c1ccc2c(c1)OCCO2)N
InChi [?]:
InChI=1/C11H15NO2/c1-2-9(12)8-3-4-10-11(7-8)14-6-5-13-10/h3-4,7,9H,2,5-6,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,12,11,9,4,3,7,8,14,13,10/rA:14cCCCCCCCCCOCCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.4869 |
Area: | 362.391 |
Solvation: | -2.57288 |
Coulombic: | -29.4627 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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