Chemical ID: 4721805

CCCCCC(=O)N1CCC(=O)Nc2c1cccc2
Chemical ID:
4721805
Name [?]:
6-hexanoyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-3-one
SMILES [?]:
CCCCCC(=O)N1CCC(=O)Nc2c1cccc2
InChi [?]:
InChI=1/C15H20N2O2/c1-2-3-4-9-15(19)17-11-10-14(18)16-12-7-5-6-8-13(12)17/h5-8H,2-4,9-11H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,18,17,19,16,5,10,9,14,15,11,6,13,8,12,7/rA:19nCCCCCCONCCCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s11;s13;s8s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.60896
Area:460.735
Solvation:-2.90943
Coulombic:-35.9464
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.25
LogP (Chemaxon):2.18

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Descriptor Annotations

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