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Chemical ID: 6523658
Chemical ID:
6523658
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/h2-5,7-8,10-11,17H,6,9,12H2,1H3,(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:20cCCCCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64034 |
Area: | 448.684 |
Solvation: | -1.57677 |
Coulombic: | -25.2523 |
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: | 4.45 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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