Chemical ID: 7297094

c1cc(cc(c1)C(=O)Nc2ccc(cc2)Br)C#N
Chemical ID:
7297094
Name [?]:
N-(4-bromophenyl)-3-cyano-benzamide
SMILES [?]:
c1cc(cc(c1)C(=O)Nc2ccc(cc2)Br)C#N
InChi [?]:
InChI=1/C14H9BrN2O/c15-12-4-6-13(7-5-12)17-14(18)11-3-1-2-10(8-11)9-16/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,14,11,15,4,17,3,5,13,10,7,16,18,9,8/E:(4,5)(6,7)/rA:18nCCCCCCCONCCCCCCBrCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9BrN2O
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.09039
Area:451.954
Solvation:-2.20845
Coulombic:-26.0082
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:301.138
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):3.71

Name Annotations

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Descriptor Annotations

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