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Chemical ID: 4447180
Chemical ID:
4447180
Name [?]:
2-(1-piperidyl)benzooxazole
SMILES [?]:
c1ccc2c(c1)nc(o2)N3CCCCC3
InChi [?]:
InChI=1/C12H14N2O/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:13,1,2,12,14,6,3,11,15,5,4,8,7,10,9/E:(4,5)(8,9)/rA:15nCCCCCCNCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65138 |
Area: | 366.652 |
Solvation: | -1.51491 |
Coulombic: | -23.8038 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.252 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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