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Chemical ID: 6427912
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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