Chemical ID: 5191541

c1ccc(cc1)CCCNc2cccc(c2)CNc3ccc(cc3)C(=O)O
Chemical ID:
5191541
Name [?]:
4-[[3-(3-phenylpropylamino)phenyl]methylamino]benzoic acid
SMILES [?]:
c1ccc(cc1)CCCNc2cccc(c2)CNc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C23H24N2O2/c26-23(27)20-11-13-21(14-12-20)25-17-19-8-4-10-22(16-19)24-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10-14,16,24-25H,5,9,15,17H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,8,3,5,14,7,12,21,23,20,24,9,16,17,4,15,22,19,11,25,10,18,26,27/E:(2,3)(6,7)(11,12)(13,14)(26,27)/rA:27nCCCCCCCCCNCCCCCCCNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.0592
Area:636.07
Solvation:-2.84255
Coulombic:-54.3517
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.449
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.86
LogP (Chemaxon):4.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue