Chemical ID: 6525699

COc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
Chemical ID:
6525699
Name [?]:
N-(3-cyanophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H12N2O2/c1-19-14-7-5-12(6-8-14)15(18)17-13-4-2-3-11(9-13)10-16/h2-9H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,5,7,4,8,17,18,16,6,12,3,9,19,11,10,2/E:(5,6)(7,8)/rA:19nCOCCCCCCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.99546
Area:457.633
Solvation:-3.44536
Coulombic:-32.6419
Bond Count [?]
All:20
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.63
LogP (Chemaxon):2.66

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Descriptor Annotations

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