Chemical ID: 6194527

Cc1c(c2c(n1c3ccc(cc3)C(=O)O)CCCC2)c4ccccc4
Chemical ID:
6194527
Name [?]:
4-(2-methyl-3-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid
SMILES [?]:
Cc1c(c2c(n1c3ccc(cc3)C(=O)O)CCCC2)c4ccccc4
InChi [?]:
InChI=1/C22H21NO2/c1-15-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23(15)18-13-11-17(12-14-18)22(24)25/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,18,17,21,25,19,16,9,11,8,12,2,20,10,7,4,5,3,13,6,14,15/E:(3,4)(7,8)(11,12)(13,14)(24,25)/rA:25nCCCCCNCCCCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s5;s16;s17;s4s18;s3;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3777
Area:537.908
Solvation:-2.07003
Coulombic:-35.2682
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.408
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.15
LogP (Chemaxon):4.77

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