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Chemical ID: 7244611
Chemical ID:
7244611
Name [?]:
2-(3-piperidyl)benzooxazole
SMILES [?]:
c1ccc2c(c1)nc(o2)C3CCCNC3
InChi [?]:
InChI=1/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,15,10,5,4,8,14,7,9/rA:15cCCCCCCNCOCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.72821 |
Area: | 370.504 |
Solvation: | -1.53438 |
Coulombic: | -23.5359 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.26 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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