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Chemical ID: 4976254
Chemical ID:
4976254
Name [?]:
1-pentylpyridine
SMILES [?]:
CCCCC[n+]1ccccc1
InChi [?]:
InChI=1/C10H16N/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,3,9,4,8,10,5,7,11,6/E:(6,7)(9,10)/CRV:11+1/rA:11nCCCCCN+CCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.2658 |
Area: | 341.885 |
Solvation: | -27.813 |
Coulombic: | 19.068 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 150.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.49 |
LogP (Chemaxon): | -1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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