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Chemical ID: 4272397
Chemical ID:
4272397
Name [?]:
N-phenyl-2-azabicyclo[5.4.0]undeca-2,8,10,12-tetraen-3-amine
SMILES [?]:
c1ccc(cc1)NC2=Nc3ccccc3CCC2
InChi [?]:
InChI=1/C16H16N2/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)18-16/h1-5,7,9-11H,6,8,12H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,17,14,16,3,5,11,18,15,4,10,8,7,9/E:(2,3)(9,10)/rA:18nCCCCCCNCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6468 |
Area: | 409.56 |
Solvation: | -1.59221 |
Coulombic: | -18.2712 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 236.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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