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Chemical ID: 4753810
Chemical ID:
4753810
Name [?]:
N-tetralin-1-ylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCCc3c2cccc3
InChi [?]:
InChI=1/C17H17NO/c19-17(14-8-2-1-3-9-14)18-16-12-6-10-13-7-4-5-11-15(13)16/h1-5,7-9,11,16H,6,10,12H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,17,12,19,3,5,13,16,11,14,4,15,10,7,9,8/E:(2,3)(8,9)/rA:19cCCCCCCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s10s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.25489 |
Area: | 437.426 |
Solvation: | -1.68076 |
Coulombic: | -25.3323 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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