Chemical ID: 6524776

CC(=O)CC(=O)NC1CCCc2c1cccc2
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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Descriptor Annotations

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