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Chemical ID: 4283401
Chemical ID:
4283401
Name [?]:
2-methyl-N-tetralin-1-yl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc3c2CCCC3
InChi [?]:
InChI=1/C18H19NO/c1-13-7-2-4-10-15(13)18(20)19-17-12-6-9-14-8-3-5-11-16(14)17/h2,4,6-7,9-10,12H,3,5,8,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,19,5,18,13,3,20,14,6,17,12,2,15,7,16,11,8,10,9/rA:20nCCCCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6839 |
Area: | 450.013 |
Solvation: | -1.56642 |
Coulombic: | -24.0254 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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