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Chemical ID: 7252988
Chemical ID:
7252988
Name [?]:
N-[(3-chlorophenyl)methyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H14ClNO/c1-11-5-2-3-8-14(11)15(18)17-10-12-6-4-7-13(16)9-12/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,5,14,3,13,15,6,17,11,2,12,16,7,8,18,10,9/rA:18nCCCCCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92915 |
Area: | 459.603 |
Solvation: | -1.56091 |
Coulombic: | -25.3279 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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