Chemical ID: 6933687

c1cc(c(cc1NC(=O)CCBr)Cl)C#N
Chemical ID:
6933687
Name [?]:
3-bromo-N-(3-chloro-4-cyano-phenyl)-propanamide
SMILES [?]:
c1cc(c(cc1NC(=O)CCBr)Cl)C#N
InChi [?]:
InChI=1/C10H8BrClN2O/c11-4-3-10(15)14-8-2-1-7(6-13)9(12)5-8/h1-2,5H,3-4H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:2,1,10,11,5,14,3,6,4,8,12,13,15,7,9/rA:15nCCCCCCNCOCCBrClCN/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s4;s3;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8BrClN2O
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.24038
Area:423.552
Solvation:-2.34843
Coulombic:-22.9699
Bond Count [?]
All:15
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.54
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):2.54

Name Annotations

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Descriptor Annotations

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