Chemical ID: 3958739

c1ccc2c(c1)ccnc2C(=O)Nc3ccccc3Br
Chemical ID:
3958739
Name [?]:
N-(2-bromophenyl)isoquinoline-1-carboxamide
SMILES [?]:
c1ccc2c(c1)ccnc2C(=O)Nc3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H11BrN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.80774
Area:453.281
Solvation:-1.52428
Coulombic:-30.5676
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.175
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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