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Chemical ID: 5665448
Chemical ID:
5665448
Name [?]:
4-cyano-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H8Br2N2O/c15-11-5-6-13(12(16)7-11)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,13,16,7,6,3,15,17,12,9,19,18,8,11,10/E:(1,2)(3,4)/rA:19nCCCCCCCNCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Br2N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96987 |
Area: | 476.869 |
Solvation: | -1.95185 |
Coulombic: | -26.2761 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.034 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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