Chemical ID: 4560719

Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2
Chemical ID:
4560719
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C18H18N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,4,6,18,19,2,5,11,10,16,8,9,20,17/E:(6,7)(8,9)/rA:20cCCCCCCCCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.46623
Area:444.99
Solvation:-1.65852
Coulombic:-22.2897
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.349
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.47
LogP (Chemaxon):4.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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