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Chemical ID: 7259721
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 |
Name Annotations
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Descriptor Annotations
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