Chemical ID: 6290339

c1ccc-2c(c1)CCc3c2n[nH]c3
Chemical ID:
6290339
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2n[nH]c3
InChi [?]:
InChI=1/C11H10N2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-4,7H,5-6H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,13,5,9,4,10,12,11/rA:13nCCCCCCCCCCNNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;d9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.44846
Area:321.291
Solvation:-1.58382
Coulombic:-10.707
Bond Count [?]
All:15
Single:10
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.211
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.68
LogP (Chemaxon):2.89

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Descriptor Annotations

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