Chemical ID: 4753810

c1ccc(cc1)C(=O)NC2CCCc3c2cccc3
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

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