Chemical ID: 6589633

c1ccc2c(c1)ncn2C=CNC(=O)c3ccc(cc3)Cl
Chemical ID:
6589633
Name [?]:
N-(2-benzoimidazol-1-ylvinyl)-4-chloro-benzamide
SMILES [?]:
c1ccc2c(c1)ncn2C=CNC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12ClN3O/c17-13-7-5-12(6-8-13)16(21)18-9-10-20-11-19-14-3-1-2-4-15(14)20/h1-11H,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,11,10,8,15,18,5,4,13,21,12,7,9,14/E:(5,6)(7,8)/rA:21nCCCCCCNCNCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.76923
Area:489.273
Solvation:-2.4626
Coulombic:-33.7565
Bond Count [?]
All:23
Single:14
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:297.739
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.31

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