Chemical ID: 6446868

Cc1cc(ccc1N2CCCC2)C=C3c4ccccc4NC3=O
Chemical ID:
6446868
Name [?]:
3-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylene]indolin-2-one
SMILES [?]:
Cc1cc(ccc1N2CCCC2)C=C3c4ccccc4NC3=O
InChi [?]:
InChI=1/C20H20N2O/c1-14-12-15(8-9-19(14)22-10-4-5-11-22)13-17-16-6-2-3-7-18(16)21-20(17)23/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,18,10,11,16,19,5,6,9,12,3,13,2,4,15,14,20,7,22,21,8,23/E:(4,5)(10,11)/rA:23nCCCCCCCNCCCCCCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;s4;w13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1359
Area:492.326
Solvation:-2.17224
Coulombic:-29.5262
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:304.386
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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