Chemical ID: 5153953

CCC(CC)(c1ccc2c(c1)cccn2)O
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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Descriptor Annotations

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