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Chemical ID: 5157779
Chemical ID:
5157779
Name [?]:
N-indan-1-ylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC2CCc3c2cccc3
InChi [?]:
InChI=1/C16H15NO/c18-16(13-7-2-1-3-8-13)17-15-11-10-12-6-4-5-9-14(12)15/h1-9,15H,10-11H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,16,18,3,5,15,12,11,13,4,14,10,7,9,8/E:(2,3)(7,8)/rA:18cCCCCCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s10s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89519 |
Area: | 425.258 |
Solvation: | -1.73626 |
Coulombic: | -24.9357 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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