Chemical ID: 7262360

Cc1cc(ccc1NC(=O)c2ccc(cc2)C#N)Br
Chemical ID:
7262360
Name [?]:
N-(4-bromo-2-methyl-phenyl)-4-cyano-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(cc2)C#N)Br
InChi [?]:
InChI=1/C15H11BrN2O/c1-10-8-13(16)6-7-14(10)18-15(19)12-4-2-11(9-17)3-5-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,15,12,16,5,6,3,17,2,14,11,4,7,9,19,18,8,10/E:(2,3)(4,5)/rA:19nCCCCCCCNCOCCCCCCCNBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;t17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrN2O
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.59029
Area:469.14
Solvation:-2.13821
Coulombic:-26.0825
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.165
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):3.53

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Descriptor Annotations

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