Chemical ID: 5709523

COc1ccccc1C2c3c(c4ccccc4[nH]3)CC[NH2+]2
Chemical ID:
5709523
Name [?]:
None
SMILES [?]:
COc1ccccc1C2c3c(c4ccccc4[nH]3)CC[NH2+]2
InChi [?]:
InChI=1/C18H18N2O/c1-21-16-9-5-3-7-14(16)17-18-13(10-11-19-17)12-6-2-4-8-15(12)20-18/h2-9,17,19-20H,10-11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,6,15,5,13,7,16,4,19,20,12,11,8,17,3,9,10,21,18,2/rA:21cCOCCCCCCCCCCCCCCCNCCN+/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N2O+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-22.0914
Area:452.407
Solvation:-33.4016
Coulombic:14.9743
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.356
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):3.31

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