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Chemical ID: 6666442
Chemical ID:
6666442
Name [?]:
N-benzyl-N-nitroso-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)N=O
InChi [?]:
InChI=1/C14H14N2O/c17-15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,11,15,7,9,4,10,16,8,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/rA:17nCCCCCCCNCCCCCCCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79039 |
Area: | 418.075 |
Solvation: | -1.66147 |
Coulombic: | -7.9222 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.274 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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