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Chemical ID: 5153953
Chemical ID:
5153953
Name [?]:
3-(6-quinolyl)pentan-3-ol
SMILES [?]:
CCC(CC)(c1ccc2c(c1)cccn2)O
InChi [?]:
InChI=1/C14H17NO/c1-3-14(16,4-2)12-7-8-13-11(10-12)6-5-9-15-13/h5-10,16H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,12,7,8,14,11,10,6,9,3,15,16/E:(1,2)(3,4)/rA:16nCCCCCCCCCCCCCCNO/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d6s10;d10;s12;d13;d9s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.53554 |
Area: | 391.847 |
Solvation: | -2.26063 |
Coulombic: | -23.7326 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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