Chemical ID: 5136324

CC1=C2CCOC2=Nc3ccccc3O1
Chemical ID:
5136324
Name [?]:
None
SMILES [?]:
CC1=C2CCOC2=Nc3ccccc3O1
InChi [?]:
InChI=1/C12H11NO2/c1-8-9-6-7-14-12(9)13-10-4-2-3-5-11(10)15-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,4,5,2,3,9,14,7,8,6,15/rA:15nCCCCCOCNCCCCCCO/rB:s1;d2;s3;s4;s5;s3s6;d7;s8;s9;d10;s11;d12;d9s13;s2s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.60287
Area:352.399
Solvation:-3.20709
Coulombic:-20.9681
Bond Count [?]
All:17
Single:12
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.72
LogP (Chemaxon):1.61

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Descriptor Annotations

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