Chemical ID: 5222885

c1ccc2c(c1)c(c(n2C(=O)c3ccccc3Br)Cl)C=O
Chemical ID:
5222885
Name [?]:
1-(2-bromobenzoyl)-2-chloro-indole-3-carbaldehyde
SMILES [?]:
c1ccc2c(c1)c(c(n2C(=O)c3ccccc3Br)Cl)C=O
InChi [?]:
InChI=1/C16H9BrClNO2/c17-13-7-3-1-6-11(13)16(21)19-14-8-4-2-5-10(14)12(9-20)15(19)18/h1-9H
InChi Info:
AuxInfo=1/0/N:14,1,15,2,6,13,16,3,20,5,12,7,17,4,8,10,18,19,9,21,11/rA:21nCCCCCCCCNCOCCCCCCBrClCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s8;s7;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9BrClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.28968
Area:472.425
Solvation:-3.52094
Coulombic:-25.0432
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.605
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):4.3

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Descriptor Annotations

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