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Chemical ID: 6377892
Chemical ID:
6377892
Name [?]:
3-chloro-N-(p-tolylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C15H14ClNO/c1-11-5-7-12(8-6-11)10-17-15(18)13-3-2-4-14(16)9-13/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,7,4,6,17,8,2,5,12,16,10,18,9,11/E:(5,6)(7,8)/rA:18nCCCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0221 |
Area: | 469.922 |
Solvation: | -1.72596 |
Coulombic: | -24.8985 |
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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