Chemical ID: 5153481

CCCCCNc1ccc(cc1)C(=O)O
Chemical ID:
5153481
Name [?]:
4-pentylaminobenzoic acid
SMILES [?]:
CCCCCNc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C12H17NO2/c1-2-3-4-9-13-11-7-5-10(6-8-11)12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,9,11,8,12,5,10,7,13,6,14,15/E:(5,6)(7,8)(14,15)/rA:15nCCCCCNCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.86001
Area:421.212
Solvation:-1.6703
Coulombic:-40.8497
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.2
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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