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Chemical ID: 6633370
Chemical ID:
6633370
Name [?]:
2-(2-chlorophenyl)-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)Cc2ccccc2Cl
InChi [?]:
InChI=1/C14H11ClO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,9,4,10,15,7,16,8/E:(2,3)(6,7)/rA:16nCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09523 |
Area: | 407.064 |
Solvation: | -2.08137 |
Coulombic: | -10.9825 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.689 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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