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Chemical ID: 6401479
Chemical ID:
6401479
Name [?]:
2-bromo-N-(2-naphthyl)benzamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C17H12BrNO/c18-16-8-4-3-7-15(16)17(20)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,10,3,15,18,8,7,5,9,4,6,14,19,12,20,11,13/rA:20nCCCCCCCCCCNCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12BrNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26014 |
Area: | 455.73 |
Solvation: | -2.13311 |
Coulombic: | -23.9304 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.187 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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