Chemical ID: 4271853

c1ccc2c(c1)-c3c(cc(nn3)c4cccc(c4)Br)C2=O
Chemical ID:
4271853
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3c(cc(nn3)c4cccc(c4)Br)C2=O
InChi [?]:
InChI=1/C17H9BrN2O/c18-11-5-3-4-10(8-11)15-9-14-16(20-19-15)12-6-1-2-7-13(12)17(14)21/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,6,3,18,9,13,17,5,4,8,10,7,20,19,11,12,21/rA:21nCCCCCCCCCCNNCCCCCCBrCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s17;s4s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H9BrN2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.68501
Area:473.978
Solvation:-2.16444
Coulombic:-13.9962
Bond Count [?]
All:24
Single:14
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:337.17
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.33
LogP (Chemaxon):3.54

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