Chemical ID: 6661290

CN(C)c1ccc(cc1)N=Nc2c3ccccc3ccc2O
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

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Descriptor Annotations

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