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Chemical ID: 6525593
Chemical ID:
6525593
Name [?]:
diethyl-[3-(2-furylcarbonylamino)propyl]ammonium
SMILES [?]:
CC[NH+](CC)CCCNC(=O)c1ccco1
InChi [?]:
InChI=1/C12H20N2O2/c1-3-14(4-2)9-6-8-13-12(15)11-7-5-10-16-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,7,13,8,6,15,12,10,9,3,11,16/E:(1,2)(3,4)/rA:16nCCN+CCCCCNCOCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21N2O2+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.1393 |
Area: | 448.69 |
Solvation: | -31.3566 |
Coulombic: | -1.34455 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 225.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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