Chemical ID: 5535919

c1cc(c(cc1Cn2cc(c3c2ccc(c3)Br)C#N)Cl)Cl
Chemical ID:
5535919
Name [?]:
5-bromo-1-[(3,4-dichlorophenyl)methyl]indole-3-carbonitrile
SMILES [?]:
c1cc(c(cc1Cn2cc(c3c2ccc(c3)Br)C#N)Cl)Cl
InChi [?]:
InChI=1/C16H9BrCl2N2/c17-12-2-4-16-13(6-12)11(7-20)9-21(16)8-10-1-3-14(18)15(19)5-10/h1-6,9H,8H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,5,16,18,7,9,6,10,15,11,3,4,12,17,21,20,19,8/rA:21nCCCCCCCNCCCCCCCCBrCNClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;s15;s10;t18;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9BrCl2N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2706
Area:519.989
Solvation:-1.72915
Coulombic:-12.0158
Bond Count [?]
All:23
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:380.066
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.87
LogP (Chemaxon):6.11

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Descriptor Annotations

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