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Chemical ID: 5327632
Chemical ID:
5327632
Name [?]:
3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)-pyrrole-2,5-dione
SMILES [?]:
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,20,19,22,3,21,5,18,4,23,6,12,11,13,16,25,24,15,2,14,17/rA:25nCNCCCCCCCCCCCONCOCCCCCCClCl/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;d11;s12;d13;s13;s11s15;d16;s12;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12Cl2N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5688 |
Area: | 546.758 |
Solvation: | -3.10017 |
Coulombic: | -37.0519 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 371.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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