Chemical ID: 3993260

c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)c3ccccc3Cl
Chemical ID:
3993260
Name [?]:
2-(2-chlorobenzoyl)amino-3-(1H-indol-3-yl)propanoic acid
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C18H15ClN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:20,1,21,2,6,19,22,3,10,8,7,5,18,23,4,11,16,12,24,9,15,17,13,14/E:(23,24)/rA:24cCCCCCCCCNCCCOONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s11;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.52729
Area:533.224
Solvation:-3.80332
Coulombic:-60.6278
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.776
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):3.63

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