Chemical ID: 7259721

c1ccc2c(c1)CCCC2NC(=O)c3cc(cnc3)Br
Chemical ID:
7259721
Name [?]:
5-bromo-N-tetralin-1-yl-pyridine-3-carboxamide
SMILES [?]:
c1ccc2c(c1)CCCC2NC(=O)c3cc(cnc3)Br
InChi [?]:
InChI=1/C16H15BrN2O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,15,19,17,5,14,16,4,10,12,20,18,11,13/rA:20cCCCCCCCCCCNCOCCCCNCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN2O
All Atoms:35
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.5598
Area:465.263
Solvation:-2.07177
Coulombic:-27.8667
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.207
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.56
LogP (Chemaxon):3.05

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