Chemical ID: 6427912

c1ccc(cc1)CN2CCCCCCCC2=O
Chemical ID:
6427912
Name [?]:
1-benzylazonan-2-one
SMILES [?]:
c1ccc(cc1)CN2CCCCCCCC2=O
InChi [?]:
InChI=1/C15H21NO/c17-15-11-7-2-1-3-8-12-16(15)13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2
InChi Info:
AuxInfo=1/0/N:12,13,11,1,2,6,14,10,3,5,15,9,7,4,16,8,17/E:(5,6)(9,10)/rA:17nCCCCCCCNCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s8s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.81664
Area:382.123
Solvation:-1.73643
Coulombic:-18.0287
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:231.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.39
LogP (Chemaxon):2.96

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Descriptor Annotations

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