Chemical ID: 5196485

c1ccc(cc1)COn2cccc2C#N
Chemical ID:
5196485
Name [?]:
1-benzyloxypyrrole-2-carbonitrile
SMILES [?]:
c1ccc(cc1)COn2cccc2C#N
InChi [?]:
InChI=1/C12H10N2O/c13-9-12-7-4-8-14(12)15-10-11-5-2-1-3-6-11/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,10,14,7,4,13,15,9,8/E:(2,3)(5,6)/rA:15nCCCCCCCONCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.77682
Area:394.836
Solvation:-3.09407
Coulombic:-10.8171
Bond Count [?]
All:16
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.78
LogP (Chemaxon):2.4

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Descriptor Annotations

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