Chemical ID: 5114801

CCCCCNC(=O)c1ccccc1C(=O)O
Chemical ID:
5114801
Name [?]:
2-(pentylcarbamoyl)benzoic acid
SMILES [?]:
CCCCCNC(=O)c1ccccc1C(=O)O
InChi [?]:
InChI=1/C13H17NO3/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(16)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,12,4,10,13,5,9,14,7,15,6,8,16,17/E:(16,17)/rA:17nCCCCCNCOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.24252
Area:442.848
Solvation:-2.82869
Coulombic:-49.8393
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.96
LogP (Chemaxon):2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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