Chemical ID: 6831934

CCCC(=O)Nc1cccc(c1)C(=O)[O-]
Chemical ID:
6831934
Name [?]:
3-butanoylaminobenzoate
SMILES [?]:
CCCC(=O)Nc1cccc(c1)C(=O)[O-]
InChi [?]:
InChI=1/C11H13NO3/c1-2-4-10(13)12-9-6-3-5-8(7-9)11(14)15/h3,5-7H,2,4H2,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,9,3,10,8,12,11,7,4,13,6,5,14,15/E:(14,15)/rA:15nCCCCONCCCCCCCOO-/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12NO3-
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-36.0573
Area:392.339
Solvation:-45.8657
Coulombic:-18.4715
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.218
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.23
LogP (Chemaxon):1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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