Chemical ID: 6832250

c1ccc(cc1)CC[NH+]2Cc3cc(c4cccnc4c3OC2)Cl
Chemical ID:
6832250
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC[NH+]2Cc3cc(c4cccnc4c3OC2)Cl
InChi [?]:
InChI=1/C19H17ClN2O/c20-17-11-15-12-22(10-8-14-5-2-1-3-6-14)13-23-19(15)18-16(17)7-4-9-21-18/h1-7,9,11H,8,10,12-13H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,15,7,17,8,12,10,22,4,11,14,13,19,20,23,18,9,21/E:(2,3)(5,6)/rA:23cCCCCCCCCN+CCCCCCCCNCCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;s9s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN2O+
All Atoms:41
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:-20.7103
Area:519.21
Solvation:-33.6906
Coulombic:19.4836
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.812
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):4.51

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Descriptor Annotations

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