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Chemical ID: 6339662
Chemical ID:
6339662
Name [?]:
N-(2-amino-4-bromo-phenyl)-4-bromo-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2N)Br)Br
InChi [?]:
InChI=1/C13H10Br2N2O/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,16H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,14,6,3,13,15,10,7,18,17,16,9,8/E:(1,2)(3,4)/rA:18nCCCCCCCONCCCCCCNBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Br2N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6055 |
Area: | 454.867 |
Solvation: | -1.76617 |
Coulombic: | -39.4656 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.039 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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