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Chemical ID: 4577737
Chemical ID:
4577737
Name [?]:
None
SMILES [?]:
CN1CCc2c3ccccc3[nH]c2C1
InChi [?]:
InChI=1/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,4,3,14,6,5,11,13,12,2/rA:14cCNCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d5s12;s2s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.11146 |
Area: | 343.877 |
Solvation: | -1.48547 |
Coulombic: | -16.5685 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 186.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.7 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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