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Chemical ID: 6962435
Chemical ID:
6962435
Name [?]:
2-chloro-N-(4-cyanophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)C#N)Cl
InChi [?]:
InChI=1/C14H9ClN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,16,13,10,5,4,7,18,17,9,8/E:(5,6)(7,8)/rA:18nCCCCCCCONCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;t16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN2O |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67776 |
Area: | 443.574 |
Solvation: | -2.41159 |
Coulombic: | -26.078 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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