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Chemical ID: 6152276
Chemical ID:
6152276
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yloxy)-N-methyl-propan-1-amine
SMILES [?]:
CNCCCOc1cccc2c1OCCO2
InChi [?]:
InChI=1/C12H17NO3/c1-13-6-3-7-14-10-4-2-5-11-12(10)16-9-8-15-11/h2,4-5,13H,3,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,4,8,10,3,5,15,14,7,11,12,2,6,16,13/rA:16nCNCCCOCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.78076 |
Area: | 415.237 |
Solvation: | -4.60016 |
Coulombic: | -32.4059 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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