Chemical ID: 6731526

c1ccc2c(c1)CCCC2NC(=O)c3ccccc3C(=O)[O-]
Chemical ID:
6731526
Name [?]:
2-(tetralin-1-ylcarbamoyl)benzoate
SMILES [?]:
c1ccc2c(c1)CCCC2NC(=O)c3ccccc3C(=O)[O-]
InChi [?]:
InChI=1/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,17,8,6,7,3,15,18,9,5,4,14,19,10,12,20,11,13,21,22/E:(21,22)/rA:22cCCCCCCCCCCNCOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16NO3-
All Atoms:38
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:-32.8842
Area:471.139
Solvation:-44.6627
Coulombic:-20.7667
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.325
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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