Chemical ID: 7435961

CCC1C(=O)N(c2ccccc2O1)O
Chemical ID:
7435961
Name [?]:
8-ethyl-10-hydroxy-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CCC1C(=O)N(c2ccccc2O1)O
InChi [?]:
InChI=1/C10H11NO3/c1-2-8-10(12)11(13)7-5-3-4-6-9(7)14-8/h3-6,8,13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,7,3,12,4,6,5,14,13/rA:14cCCCCONCCCCCCOO/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:25
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.36143
Area:348.558
Solvation:-2.35251
Coulombic:-35.3929
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.42
LogP (Chemaxon):1.15

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Descriptor Annotations

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