Chemical ID: 7193546

CCOC(=O)C1=NCc2c1cccc2
Chemical ID:
7193546
Name [?]:
ethyl 3H-isoindole-1-carboxylate
SMILES [?]:
CCOC(=O)C1=NCc2c1cccc2
InChi [?]:
InChI=1/C11H11NO2/c1-2-14-11(13)10-9-6-4-3-5-8(9)7-12-10/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,8,9,10,6,4,7,5,3/rA:14nCCOCOCNCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:25
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.17401
Area:365.35
Solvation:-1.95974
Coulombic:-27.8427
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.55
LogP (Chemaxon):2.14

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Descriptor Annotations

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