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Chemical ID: 6524776
Chemical ID:
6524776
Name [?]:
3-oxo-N-tetralin-1-yl-butanamide
SMILES [?]:
CC(=O)CC(=O)NC1CCCc2c1cccc2
InChi [?]:
InChI=1/C14H17NO2/c1-10(16)9-14(17)15-13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,13H,4,6,8-9H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,10,17,11,14,9,4,2,12,13,8,5,7,3,6/rA:17cCCOCCONCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s8s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.84998 |
Area: | 409.311 |
Solvation: | -4.38281 |
Coulombic: | -25.4211 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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