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Chemical ID: 6458907
Chemical ID:
6458907
Name [?]:
1-[1-(3-phenylpropoxy)ethyl]imidazole
SMILES [?]:
CC(n1ccnc1)OCCCc2ccccc2
InChi [?]:
InChI=1/C14H18N2O/c1-13(16-10-9-15-12-16)17-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,10,13,17,11,5,4,9,7,2,12,6,3,8/E:(3,4)(6,7)/rA:17cCCNCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s2;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96225 |
Area: | 451.54 |
Solvation: | -3.32625 |
Coulombic: | -19.471 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 230.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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