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Chemical ID: 6661290
Chemical ID:
6661290
Name [?]:
1-(4-dimethylaminophenyl)azonaphthalen-2-ol
SMILES [?]:
CN(C)c1ccc(cc1)N=Nc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C18H17N3O/c1-21(2)15-10-8-14(9-11-15)19-20-18-16-6-4-3-5-13(16)7-12-17(18)22/h3-12,22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,14,19,6,8,5,9,20,18,7,4,13,21,12,10,11,2,22/E:(1,2)(8,9)(10,11)/rA:22nCNCCCCCCCNNCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97741 |
Area: | 466.321 |
Solvation: | -2.68061 |
Coulombic: | -28.273 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.21 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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