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Chemical ID: 5642490
Chemical ID:
5642490
Name [?]:
N-(2-chlorophenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C13H10ClNO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,4,15,10,7,16,9,8/E:(2,3)(6,7)/rA:16nCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70681 |
Area: | 405.741 |
Solvation: | -1.4367 |
Coulombic: | -24.7897 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.677 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.62 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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