Chemical ID: 5168385

c1c(cc2c3c1CCCN3CCC2)C=O
Chemical ID:
5168385
Name [?]:
None
SMILES [?]:
c1c(cc2c3c1CCCN3CCC2)C=O
InChi [?]:
InChI=1/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2
InChi Info:
AuxInfo=1/0/N:8,12,7,13,9,11,1,3,14,2,6,4,5,10,15/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:15cCCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;s11;s4s12;s2;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.36416
Area:357.956
Solvation:-2.58473
Coulombic:-13.1347
Bond Count [?]
All:17
Single:13
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):2.74

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Experimental Annotations

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Descriptor Annotations

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