Chemical ID: 4942035

Cc1c2ccncc2c(c3c1n(c4c3cccc4)CCCCC=C)C
Chemical ID:
4942035
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1n(c4c3cccc4)CCCCC=C)C
InChi [?]:
InChI=1/C23H24N2/c1-4-5-6-9-14-25-21-11-8-7-10-19(21)22-16(2)20-15-24-13-12-18(20)17(3)23(22)25/h4,7-8,10-13,15H,1,5-6,9,14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,23,22,21,16,17,20,15,18,4,5,19,7,9,2,3,14,8,13,10,11,6,12/rA:25nCCCCCNCCCCCNCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s12;s19;s20;s21;s22;d23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5447
Area:542.343
Solvation:-2.01387
Coulombic:-14.2735
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.45
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.63
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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