Chemical ID: 6508104

CCCCCC(=O)c1ccc(c2c1cccn2)O
Chemical ID:
6508104
Name [?]:
1-(8-hydroxy-5-quinolyl)hexan-1-one
SMILES [?]:
CCCCCC(=O)c1ccc(c2c1cccn2)O
InChi [?]:
InChI=1/C15H17NO2/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15/h5-6,8-10,18H,2-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,15,14,5,9,10,16,8,13,6,11,12,17,7,18/rA:18nCCCCCCOCCCCCCCCCNO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.01753
Area:447.422
Solvation:-3.16803
Coulombic:-30.0676
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.301
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.52
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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