Chemical ID: 4666687

CCCCc1ccc2c(c1)c3c([nH]2)-c4ccccc4CC3
Chemical ID:
4666687
Name [?]:
None
SMILES [?]:
CCCCc1ccc2c(c1)c3c([nH]2)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H21N/c1-2-3-6-14-9-12-19-18(13-14)17-11-10-15-7-4-5-8-16(15)20(17)21-19/h4-5,7-9,12-13,21H,2-3,6,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,17,16,4,18,15,6,20,21,7,10,5,19,14,11,9,8,12,13/rA:21nCCCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s8s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.8942
Area:483.806
Solvation:-1.20092
Coulombic:-14.4605
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.387
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.2
LogP (Chemaxon):5.98

Name Annotations

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Descriptor Annotations

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