Chemical ID: 6741487

Cc1ccc(cc1N2Cc3cc(c(cc3C2)C)C)Cl
Chemical ID:
6741487
Name [?]:
2-(5-chloro-2-methyl-phenyl)-5,6-dimethyl-isoindoline
SMILES [?]:
Cc1ccc(cc1N2Cc3cc(c(cc3C2)C)C)Cl
InChi [?]:
InChI=1/C17H18ClN/c1-11-4-5-16(18)8-17(11)19-9-14-6-12(2)13(3)7-15(14)10-19/h4-8H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,3,4,14,11,6,16,9,2,13,12,15,10,5,7,19,8/E:(2,3)(6,7)(9,10)(12,13)(14,15)/rA:19nCCCCCCCNCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClN
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.89403
Area:453.982
Solvation:-1.45551
Coulombic:-8.6416
Bond Count [?]
All:21
Single:15
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:271.784
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.35
LogP (Chemaxon):5.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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