Chemical ID: 4620185

CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
Chemical ID:
4620185
Name [?]:
None
SMILES [?]:
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
InChi [?]:
InChI=1/C20H17N3/c1-20(2)12-13-7-3-4-8-14(13)18-11-17-19(23(18)20)22-16-10-6-5-9-15(16)21-17/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,6,7,18,19,5,8,17,20,14,3,4,9,16,21,13,10,12,2,15,22,11/E:(1,2)/rA:23nCCCCCCCCCCNCCCNCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;s11;s12;d10s13;d13;s15;s16;d17;s18;d19;d16s20;d12s21;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1583
Area:468.363
Solvation:-1.55078
Coulombic:-20.8275
Bond Count [?]
All:27
Single:18
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:299.369
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.4
LogP (Chemaxon):4.62

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Experimental Annotations

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Descriptor Annotations

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