Chemical ID: 3967348

CNCCCC12CCC(c3c1cccc3)c4c2cccc4
Chemical ID:
3967348
Name [?]:
None
SMILES [?]:
CNCCCC12CCC(c3c1cccc3)c4c2cccc4
InChi [?]:
InChI=1/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,20,13,19,4,15,21,12,18,8,5,7,3,9,10,16,11,17,6,2/E:(2,3)(4,5)(7,8)(9,10)(16,17)(18,19)/rA:21nCNCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;d11;s12;d13;d10s14;s9;s6s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.3058
Area:470.252
Solvation:-1.45047
Coulombic:-12.562
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.403
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.06
LogP (Chemaxon):4.74

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Descriptor Annotations

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